SCHEMBL6044693

SCHEMBL6044693

CS(=O)(=O)c1ccc(-c2ccc(Br)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.61
PTGS1 P23219 6/20 0.61
KDM4E B2RXH2 1/20 0.52
MT-CO1 P00395 1/20 0.52
MT-CO2 P00403 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL5664167 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8087013 0.83 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL23093213 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL29802404 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6377935 0.80 PTGS2 (0.55) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6242607 0.80 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6377943 0.79 PTGS2 (0.56) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL5084380 0.76 PTGS2 (0.50) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL212410 0.76 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8483933 0.75 PTGS2 (0.78) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 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 (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-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885KDM4E 3104/4885

“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.