SCHEMBL3263072

SCHEMBL3263072

CCCCCc1noc(CC(=O)O)c1CCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ PPARA Q07869 1/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ CDC25A P30304 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ CDC25C P30307 5/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL5734668 0.81 PPARA (0.33) PPARA
SCHEMBL4564307 0.74 GAA (0.41) ALDH1A1PPARAHCAR3HCAR2
SCHEMBL9273861 0.73 KDM4E (0.36) ALDH1A1HPGDMAPT
SCHEMBL8995000 0.72 TLR8 (0.38) PPARASMN1; SMN2
SCHEMBL8995096 0.71 ALOX5 (0.36) ALDH1A1PPARAPTGS2
SCHEMBL285375 0.70 GCGR (0.40) —
SCHEMBL11418567 0.70 NPC1 (0.40) PPARAHCAR3HCAR2
SCHEMBL9536320 0.70 PPARA (0.38) PPARAHPGDHSD17B10MAPTHCAR3
SCHEMBL17514350 0.69 MLYCD (0.40) ALDH1A1PPARAHPGD
SCHEMBL28212760 0.66 TYR (0.36) ALDH1A1PPARAPTGS2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3220180-A — — None — — JP disclosed
JP-3161464-A — — None — — JP disclosed
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 — — US disclosed
EP-2070908-A1 COMPOUND HAVING BENZAMIDE SKELETON AND CYCLOOXYGENASE (COX-1)-SELECTIVE INHIBITORY ACTIVITY National University Corporation Okayama University (JP) 2009-06-17 — — EP disclosed
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 — — CN disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 — — EP disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 — — CN disclosed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 — — CN disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 — — EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 — — US disclosed
US-5142091-A α, β-unsaturated ketones and ketoxime derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-08-25 — — US disclosed
US-5142091-A α, β-unsaturated ketones and ketoxime derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-08-25 — — US disclosed
EP-0464218-A1 PROCESS FOR PRODUCING ISOXAZOLE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-08 — — EP disclosed
EP-0464218-A1 PROCESS FOR PRODUCING ISOXAZOLE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-08 — — EP disclosed
EP-0454871-A1 ALPHA, BETA-UNSATURATED KETONE AND KETOXIME DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-11-06 — — EP disclosed
EP-0454871-A1 ALPHA, BETA-UNSATURATED KETONE AND KETOXIME DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-11-06 — — EP disclosed
JP-H03220180-A ISOXAZOLINE DERIVATIVE TAIHO YAKUHIN KOGYO KK 1991-09-27 — — JP disclosed
WO-1991011443-A1 PROCESS FOR PRODUCING ISOXAZOLE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-08-08 — — WO disclosed
JP-H03161464-A ALPHA,BETA-UNSATURATED KETONE AND KETOXIME DERIVATIVE TAIHO YAKUHIN KOGYO KK 1991-07-11 — — JP disclosed
WO-1991007374-A1 α,β-UNSATURATED KETONE AND KETOXIME DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-05-30 — — WO 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 (1 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-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY PTGS1, PTGS2, PTGIS ALDH1A1 56/4885PPARA 1339/4885PTGS2 2/4885

“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.

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