SCHEMBL693792

SCHEMBL693792

O=C(O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.62
SRD5A2 P31213 4/20 0.60
MAPK14 Q16539 2/20 0.59
MRGPRX4 Q96LA9 1/20 0.57
AKR1C3 P42330 1/20 0.56
CHEK2 O96017 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
PPARG P37231 2/20 0.51
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
AR P10275 1/20 0.49
ESR2 Q92731 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49

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
SCHEMBL5552784 0.89 AKR1C3 (0.67) NR4A2SRD5A2MRGPRX4AKR1C3NPC1
SCHEMBL8922344 0.88 SRD5A2 (0.53) NR4A2SRD5A2MAPK14MRGPRX4AKR1C3
SCHEMBL11071994 0.86 MAOB (0.63) MAPK14CHEK2CYP2C9RAB9ATLR8
SCHEMBL693337 0.86 MAPK14 (0.54) NR4A2MAPK14MRGPRX4CHEK2TLR8
SCHEMBL27579381 0.85 LTA4H (0.59) MAPK14POLBCYP2C9TLR8TLR7
SCHEMBL4742580 0.84 AKR1C3 (0.70) NR4A2MAPK14MRGPRX4AKR1C3NPC1
SCHEMBL11073452 0.84 MAPK14 (0.51) NR4A2SRD5A2MAPK14MRGPRX4NPC1
SCHEMBL10656423 0.84 MAPK14 (0.59) NR4A2MAPK14MRGPRX4CHEK2TLR8
SCHEMBL694268 0.84 MAPT (0.61) MAPK14CHEK2POLBRAB9ATLR8
SCHEMBL11078518 0.84 MAPK14 (0.52) NR4A2MAPK14MRGPRX4CHEK2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-2785707-B1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER IP GMBH (DE) 2018-01-24 EP disclosed
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 EP disclosed
US-9655887-B2 Pharmaceutical composition and the use thereof, and application regime of said pharmaceutical composition for on-demand contraception BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-23 US disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 US disclosed
US-9062041-B2 2H-indazoles as EP2 receptor antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-23 US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2006-05-04 US disclosed
EP-1511751-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS Neogenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP disclosed
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003101993-A1 PYRAZOLO` 1,5A! PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed
US-5456848-A Oxidation resistance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1995-10-10 US disclosed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 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 (5 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-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents RNGTT, PNP, ZC3HAV1 NR4A2 3781/4885SRD5A2 2089/4885MAPK14 3581/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG NR4A2 4745/4885SRD5A2 4796/4885MAPK14 1014/4885
US-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION PTGER2, PTGER3, PTGER1 NR4A2 849/4885SRD5A2 103/4885MAPK14 2470/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK NR4A2 3882/4885SRD5A2 3594/4885MAPK14 925/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG NR4A2 4745/4885SRD5A2 4796/4885MAPK14 1014/4885

“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.