SCHEMBL10139331

SCHEMBL10139331

CC(C)C(=O)[C@H](C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 3/20 0.44
GRM7 Q14831 2/20 0.44
MAPK1 P28482 2/20 0.44
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44

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
SCHEMBL9911551 1.00 PTGS2 (0.52) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL10120043 1.00 PTGS2 (0.52) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL2928062 0.90 PTGS2 (0.56) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL6511016 0.87 PTGS2 (0.71) PTGS2HTR2CDRD3MAPTPTGS1
SCHEMBL18827741 0.84 PTGS2 (0.50) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL11634243 0.82 PTGS2 (0.53) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL10266901 0.82 PTGS2 (0.48) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL18098622 0.82 ALOX5 (0.50) PTGS2POLBCYP2D6SRCFAAH
SCHEMBL8461436 0.81 SRC (0.58) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL888681 0.81 L3MBTL1 (0.52) POLBCYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (8 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTGS2 2528/4885POLB 1431/4885CYP2D6 1861/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PTGS2 2528/4885POLB 1431/4885CYP2D6 1861/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 PTGS2 4685/4885POLB 2335/4885CYP2D6 3815/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 PTGS2 2456/4885POLB 55/4885CYP2D6 3859/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 PTGS2 2456/4885POLB 55/4885CYP2D6 3859/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN PTGS2 2886/4885POLB 3453/4885CYP2D6 4288/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PTGS2 2528/4885POLB 1431/4885CYP2D6 1861/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTGS2 2528/4885POLB 1431/4885CYP2D6 1861/4885

“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.