SCHEMBL2126253

SCHEMBL2126253

COc1c(F)cc(CC(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.46
GAA P10253 2/20 0.46
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRA P10827 6/20 0.42
RXRA P19793 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
PPARG P37231 1/20 0.42
CA5A P35218 1/20 0.41
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
DBH P09172 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL28151235 0.86 TUBB1 (0.41) DBHTUBB1
SCHEMBL7153647 0.85 CYP3A4 (0.43) DBHTUBB1POLB
SCHEMBL14939021 0.83 TUBB1 (0.39) DBHTUBB1
SCHEMBL2126802 0.83 HSP90AB1 (0.56) THRBGAAALDH1A1DBHTUBB1
SCHEMBL10480367 0.81 FFAR4 (0.51) POLB
SCHEMBL2303307 0.80 GAA (0.54) GAAPTGS1AKR1C3AKR1C2ALDH1A1
SCHEMBL287411 0.80 THRB (0.49) THRBGAAPTGS1AKR1C3AKR1C2
SCHEMBL17730733 0.79 CACNA1H (0.44) GAAALDH1A1KDM4E
SCHEMBL8081551 0.78 GAA (0.61) THRBGAAPTGS1AKR1C3AKR1C2
SCHEMBL499116 0.78 GAA (0.61) GAAALDH1A1TSHRNFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO disclosed
US-20100120730-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2,3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS NYCOMED GMBH (DE) 2010-05-13 US disclosed
WO-2010015587-A1 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOPENTA[C]FLUORENE COMPOUNDS AND 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOHEPTA[C]FLUORENE COMPOUNDS NYCOMED GMBH (DE) 2010-02-11 WO disclosed
WO-2010015588-A1 BENZYL-SUBSTITUTED TETRACYCLIC HETEROCYCLIC COMPOUNDS NYCOMED GMBH (DE) 2010-02-11 WO disclosed
US-7507824-B2 Spiro(2H-1benzopyran-2,4′-piperidine) derivates as glycine transport inhibitors N.V. ORGANON (NL) 2009-03-24 US disclosed
EP-1953159-A1 6-Benzyl-2,3,4,7-tetrahydro-indolo[2,3-c]quinoline compounds useful as PDE5 inhibitors Nycomed GmbH (DE) 2008-08-06 EP disclosed
US-6645973-B1 Heterocyclic amines such as 1-carboxymethyl-4-(4-chlorophenyl) spiro(2H-1-benzopyran-2,4'-piperidine)hydrochloride used for therapy of nervous system disorders; Alzheimer's, Parkinson's and Huntington's disease AKZO NOBEL (NL) 2003-11-11 US disclosed
EP-0302603-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-02-08 EP disclosed
US-4798843-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-17 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 (4 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 THRB 4582/4885GAA 4335/4885PTGS1 31/4885
US-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 THRB 607/4885GAA 200/4885PTGS1 2663/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 THRB 4582/4885GAA 4335/4885PTGS1 31/4885
US-20100120730-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2,3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS PDE5A, PDE3A, PDE2A THRB 3741/4885GAA 1775/4885PTGS1 117/4885

“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.