SCHEMBL2662891

SCHEMBL2662891

CC(C)(C)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.43
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
GPR183 P32249 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KIF11 P52732 2/20 0.37
NOTUM Q6P988 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR3 P46089 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL2662892 0.88 ALDH1A1 (0.38) PDE2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL18858967 0.86 TSHR (0.38) PDE2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL21008411 0.86 TSHR (0.38) PDE2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL18768656 0.85 PDE2A (0.41) PDE2ACTNNB1WNT3AGPR183NPC1
SCHEMBL13566120 0.82 CNR2 (0.40) PDE2ACTNNB1WNT3AGPR183NPC1
SCHEMBL12996013 0.82 TSHR (0.34) PDE2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL10256454 0.82 TSHR (0.34) PDE2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL12169409 0.82 TSHR (0.58) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16238040 0.80 PDE2A (0.42) PDE2ACTNNB1WNT3AGPR183NPC1
SCHEMBL10919177 0.80 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 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 (13 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA PDE2A 2590/4885CTNNB1 1139/4885WNT3A 1966/4885
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP PDE2A 368/4885CTNNB1 2706/4885WNT3A 2092/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH PDE2A 941/4885CTNNB1 4244/4885WNT3A 3869/4885
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 PDE2A 1595/4885CTNNB1 4237/4885WNT3A 4225/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PDE2A 1690/4885CTNNB1 930/4885WNT3A 2105/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 PDE2A 2580/4885CTNNB1 499/4885WNT3A 1751/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PDE2A 2112/4885CTNNB1 1389/4885WNT3A 2583/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 PDE2A 574/4885CTNNB1 1584/4885WNT3A 2197/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PDE2A 2889/4885CTNNB1 2188/4885WNT3A 2406/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE2A 204/4885CTNNB1 2997/4885WNT3A 4008/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 PDE2A 1172/4885CTNNB1 1458/4885WNT3A 1031/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA PDE2A 307/4885CTNNB1 3364/4885WNT3A 3042/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 PDE2A 1930/4885CTNNB1 4615/4885WNT3A 4350/4885

“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.