SCHEMBL3247612

SCHEMBL3247612

CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3F)C(=O)OC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.74
PTGS1 P23219 8/20 0.74
ABCB11 O95342 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MT-CO2 P00403 1/20 0.62
HTR1A P08908 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MC4R P32245 1/20 0.62
PGR P06401 1/20 0.56
NR3C2 P08235 1/20 0.56

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
SCHEMBL3246262 0.90 PTGS2 (0.74) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3247842 0.88 PTGS2 (0.71) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3246420 0.88 PTGS2 (0.71) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3243735 0.88 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3242271 0.88 PTGS2 (0.70) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL14516366 0.88 PTGS2 (0.74) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3247814 0.86 PTGS2 (0.73) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3873376 0.86 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6735299 0.84 PTGS2 (0.72) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3246332 0.84 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
JP-2977137-B2 1999-11-10 JP claimed
JP-2788677-B2 1998-08-20 JP claimed
EP-0705254-B1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-05-06 EP claimed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP claimed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP claimed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP claimed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP claimed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US claimed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO claimed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 WO claimed
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors CARDAX PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1890729-A2 USE OF CAROTENOIDS AND/OR CAROTENOID DERIVATIVES/ANALOGS FOR REDUCTION/INHIBITION OF CERTAIN NEGATIVE EFFECTS OF COX INHIBITORS Cardax Pharmaceuticals, Inc. (US) 2008-02-27 EP disclosed
US-7199154-B2 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2007-04-03 US disclosed
WO-2006119168-A2 USE OF CAROTENOIDS AND/OR CAROTENOID DERIVATIVES/ANALOGS FOR REDUCTION/INHIBITION OF CERTAIN NEGATIVE EFFECTS OF COX INHIBITORS CARDAX PHARMACEUTICALS, INC. (US) 2006-11-09 WO disclosed
US-5536752-A TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-16 US disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 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-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors LPL, ALOX12, LCLAT1 PTGS2 9/4885PTGS1 26/4885ABCB11 2427/4885

“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.