Sugi Predict

Sugi Predict / Compounds / SCHEMBL7530106

SCHEMBL7530106

SCHEMBL7530106

CC(C)C[C@@H](O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.46
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL1492602 1.00 CETP (0.46) CETPPKMTSHRALDH1A1MAPK1
SCHEMBL12868845 1.00 CETP (0.46) CETPPKMTSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7425924 0.97 CETP (0.43) CETPPKMTSHRALDH1A1MAPK1
SCHEMBL461557 0.82 CETP (0.46) CETPPKMTSHRALDH1A1MAPK1
SCHEMBL459896 0.81 CETP (0.56) CETPPKMLMNAHTTKMT2A
SCHEMBL25954460 0.80 TSHR (0.33) CETPTSHRALDH1A1MAPK1CA1
SCHEMBL25954457 0.80 TSHR (0.33) CETPTSHRALDH1A1MAPK1CA1
SCHEMBL25954458 0.80 TSHR (0.33) CETPTSHRALDH1A1MAPK1CA1
SCHEMBL7171615 0.78 CETP (0.42) CETPPKMTSHR
SCHEMBL25543809 0.78 CETP (0.42) CETPPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 — — WO disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 — — WO disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 — — US disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 — — US disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 — — US disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 — — US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 — — US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 — — US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 — — US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
EP-0842915-B1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL CO (JP) 2002-03-27 — — EP disclosed
EP-0853076-B1 Liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-09-12 — — EP disclosed
US-6002042-A Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-12-14 — — US disclosed
EP-0853076-A1 Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-15 — — EP disclosed
EP-0842915-A2 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-20 — — EP 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 (9 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CETP 3465/4885PKM 3476/4885TSHR 481/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885TSHR 2250/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 CETP 3465/4885PKM 3476/4885TSHR 481/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885TSHR 2250/4885
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 CETP 2040/4885PKM 635/4885TSHR 2907/4885
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 CETP 170/4885PKM 1889/4885TSHR 2310/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CETP 3465/4885PKM 3476/4885TSHR 481/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 CETP 42/4885PKM 1845/4885TSHR 4648/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 CETP 1253/4885PKM 866/4885TSHR 2478/4885

“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.