SCHEMBL8071669

SCHEMBL8071669

CC(C)(C)CNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.47
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA2 P00918 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MLYCD O95822 1/20 0.34
BCHE P06276 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23612817 0.85 PGK1 (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19642846 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2392882 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18334473 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1618469 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8962237 0.79 POLB (0.38) ALDH1A1SMN1; SMN2POLBCA2CA14
SCHEMBL20805996 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10309174 0.78 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27973098 0.77 POLB (0.37) ALDH1A1SMN1; SMN2POLBCA2CA14
Water SCHEMBL5564902 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-15 US disclosed
US-10882847-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2021-01-05 US disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 US disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
US-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS The Univeristy of Idaho 2012-11-22 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10882847-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, TP53 ALDH1A1 3519/4885SMN1; SMN2 1544/4885POLB 774/4885
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH ALDH1A1 2545/4885SMN1; SMN2 4127/4885POLB 4302/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3904/4885SMN1; SMN2 2037/4885POLB 2977/4885
US-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS NT5C3B, UNG, NT5C2 ALDH1A1 393/4885SMN1; SMN2 525/4885POLB 172/4885
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF F2RL1, F2R, TBXA2R ALDH1A1 3448/4885SMN1; SMN2 4378/4885POLB 3161/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3904/4885SMN1; SMN2 2037/4885POLB 2977/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 2338/4885SMN1; SMN2 3485/4885POLB 3304/4885
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 ALDH1A1 214/4885SMN1; SMN2 3561/4885POLB 992/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 2338/4885SMN1; SMN2 3485/4885POLB 3304/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 2338/4885SMN1; SMN2 3485/4885POLB 3304/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 3105/4885SMN1; SMN2 2329/4885POLB 2864/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI ALDH1A1 4494/4885SMN1; SMN2 4033/4885POLB 3732/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 ALDH1A1 214/4885SMN1; SMN2 3561/4885POLB 992/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ALDH1A1 4659/4885SMN1; SMN2 2986/4885POLB 3209/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 ALDH1A1 955/4885SMN1; SMN2 1568/4885POLB 11/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD ALDH1A1 3691/4885SMN1; SMN2 3936/4885POLB 2634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.