SCHEMBL5393447

SCHEMBL5393447

COc1ccc(-n2nc(CCC(=O)O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.84
RXRB P28702 9/20 0.84
RXRG P48443 9/20 0.84
ALOX5 P09917 1/20 0.79
PTGS2 P35354 1/20 0.79
CCKAR P32238 9/20 0.68
MALT1 Q9UDY8 1/20 0.60

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
SCHEMBL9519465 0.91 PTGS2 (0.79) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9522066 0.90 PTGS2 (0.77) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9521167 0.90 PTGS2 (0.77) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9695677 0.90 RXRA (0.74) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9519737 0.90 ALOX5 (0.71) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9520164 0.89 PTGS2 (0.76) RXRARXRBRXRGALOX5PTGS2
Water SCHEMBL10551403 0.88 PTGS2 (0.74) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9519230 0.88 PTGS2 (0.74) RXRARXRBRXRGALOX5PTGS2
Tepoxalin SCHEMBL75441 0.88 PTGS2 (1.00) RXRARXRBRXRGALOX5PTGS2
SCHEMBL5382607 0.87 PTGS2 (0.76) RXRARXRBRXRGALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877056-B1 TEPOXALIN TARGETING OF ABCB1 OVEREXPRESSING CANCERS BROAD INST INC (US) 2025-07-02 EP claimed
US-20220065864-A1 TEPOXALIN TARGETING OF ABCB1 OVEREXPRESSING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-03 US claimed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US claimed
EP-3877056-B1 TEPOXALIN TARGETING OF ABCB1 OVEREXPRESSING CANCERS BROAD INST INC (US) 2025-07-02 EP disclosed
US-12313632-B2 Tepoxalin targeting of ABCB1 overexpressing cancers THE BROAD INSTITUTE, INC. (US) 2025-05-27 US disclosed
US-20220065864-A1 TEPOXALIN TARGETING OF ABCB1 OVEREXPRESSING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-03 US disclosed
US-7247745-B2 Process for preparing 1,5-diaryl-3-substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-07-24 US disclosed
US-7247745-B2 Process for preparing 1,5-diaryl-3-substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-07-24 US disclosed
US-7247745-B2 Process for preparing 1,5-diaryl-3-substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-07-24 US disclosed
EP-1413575-B1 Process for preparing derivatives of ¬(1,5-diaryl)pyrazol-3-yl|propanoic acid ORTHO MCNEIL PHARM INC (US) 2006-10-11 EP disclosed
US-20060004208-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F 2006-01-05 US disclosed
EP-1144382-A3 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-09-11 EP disclosed
US-6384233-B1 PHENYL KETONE DERIVATIVE REACTED WITH SUCCINIC ANHYDRIDE ANDPOTASSIUM T-BUTOXIDE, DIKETONE PRODUCT REACTED WITH HYDRAZINE DERIVATIVE TO CAUSE CYCLIZATION, ESTERIFICATION WITH ETHANOL AND REACTING WITH N-METHYLHYDROXYLAMINE HYDROCHLORIDE ABDEL-MAGID AHMED F (US) 2002-05-07 US disclosed
US-20020032336-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F (US) 2002-03-14 US disclosed
EP-1144382-A2 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2001-10-17 EP disclosed
WO-2001009102-A2 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 WO disclosed
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP disclosed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP 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-20060004208-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ADH5, ADH1C, ADH1A RXRA 3508/4885RXRB 3479/4885RXRG 3436/4885
US-20020032336-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ADH5, ADH1C, ADH1A RXRA 3635/4885RXRB 3558/4885RXRG 3530/4885
US-12313632-B2 Tepoxalin targeting of ABCB1 overexpressing cancers ABCC1, ABCB1, ABCC8 RXRA 2529/4885RXRB 1762/4885RXRG 2051/4885
US-20220065864-A1 TEPOXALIN TARGETING OF ABCB1 OVEREXPRESSING CANCERS ABCC1, ABCB1, ABCC8 RXRA 2529/4885RXRB 1762/4885RXRG 2051/4885

“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.