SCHEMBL12376667

SCHEMBL12376667

CC(C)(C)NC(=O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
TSHR P16473 2/20 0.49
RAB9A P51151 2/20 0.47
CSNK1D P48730 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL21482516 0.89 MAPT (0.48) MAPTLMNANPC1CASP3SENP8
SCHEMBL8111660 0.84 LMNA (0.53) MAPTLMNANPC1CASP3SENP8
SCHEMBL13101597 0.84 MAPT (0.65) MAPTLMNANPC1CASP3SENP8
SCHEMBL27466980 0.83 CSNK1D (0.47) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL20859007 0.83 CTSS (0.54) MAPTLMNANPC1CASP3SENP8
SCHEMBL12376668 0.82 MAPT (0.49) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL27448128 0.81 CSNK1D (0.49) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL8003960 0.81 CSNK1D (0.50) MAPTNPC1KMT2AALDH1A1HTT
SCHEMBL10288652 0.81 CSNK1D (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31688404 0.79 HDAC8 (0.57) NPC1MEN1KMT2ATSHRRAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11339179-B2 Preparation for natural product trabectedin CE PHARM CO., LTD. (CN) 2022-05-24 US disclosed
US-20210163500-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN CE PHARM CO., LTD. (CN) 2021-06-03 US disclosed
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MAPT 4444/4885LMNA 4174/4885NPC1 1260/4885
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MAPT 3719/4885LMNA 4560/4885NPC1 4857/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MAPT 538/4885LMNA 1962/4885NPC1 2180/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MAPT 3719/4885LMNA 4560/4885NPC1 4857/4885
US-20210163500-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN TH, TYR, FLT4 MAPT 2856/4885LMNA 3249/4885NPC1 4679/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MAPT 329/4885LMNA 2969/4885NPC1 3537/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MAPT 538/4885LMNA 1962/4885NPC1 2180/4885
US-11339179-B2 Preparation for natural product trabectedin TH, TYR, FLT4 MAPT 2856/4885LMNA 3249/4885NPC1 4679/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 MAPT 3719/4885LMNA 4560/4885NPC1 4857/4885

“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.