SCHEMBL4024601

SCHEMBL4024601

CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccccc2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.70
PTGS1 P23219 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MT-CO1 P00395 1/20 0.70
MT-CO2 P00403 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
HSD17B10 Q99714 1/20 0.70
SCD O00767 1/20 0.46
FADS1 O60427 1/20 0.46

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
Dup-697 SCHEMBL1041241 0.82 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567845 0.82 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL9206986 0.80 PTGS2 (0.73) PTGS2PTGS1SCDFADS1
SCHEMBL8985377 0.78 PTGS2 (0.46) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985314 0.77 PTGS2 (0.75) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985413 0.75 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985340 0.74 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985295 0.72 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7087907 0.72 PTGS2 (0.61) PTGS2PTGS1SCDFADS1
SCHEMBL6732658 0.71 PTGS2 (0.70) PTGS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821589-B1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2009-02-04 EP claimed
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NICOX S.A. (FR) 2003-06-12 US claimed
EP-0821589-A4 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2002-05-15 EP claimed
US-6057347-A COMPRISING NONSTEROIDAL ANTIINFLAMMATORY DRUG AND COMPOUND THAT DONATES, TRANSFERS, OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS SYNTHESIS LEVELS OF NITRIC OXIDE, OR IS SUBSTRATE FOR NITRIC OXIDE SYNTHASE NITROMED, INC. (US) 2000-05-02 US claimed
EP-0821589-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS Nitromed, Inc. (US) 1998-02-04 EP claimed
WO-1996032946-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 1996-10-24 WO claimed

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-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB PTGS2 6/4885PTGS1 5/4885KDM4E 4435/4885

“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.