SCHEMBL5114318

SCHEMBL5114318

CCCNC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.72
PTGS1 P23219 8/20 0.72
EGFR P00533 1/20 0.42
CDK2 P24941 1/20 0.42
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5109297 0.95 PTGS2 (0.69) PTGS2PTGS1EGFRCDK2MAPT
SCHEMBL5115108 0.93 PTGS2 (0.74) PTGS2PTGS1EGFRCDK2POLB
SCHEMBL5104564 0.90 PTGS2 (0.57) PTGS2PTGS1MAPTPOLB
SCHEMBL5109441 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5114316 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5107367 0.84 PTGS2 (0.55) PTGS2PTGS1MAPT
SCHEMBL5106346 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5104546 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5102779 0.83 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5109317 0.82 PTGS2 (0.61) PTGS2PTGS1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410994-B2 Indole derivatives as anti-inflammatory agents ROCHE PALO ALTO LLC (US) 2008-08-12 US disclosed
US-20060178420-A1 Indole derivatives as anti-inflammatory agents BROKA CHRIS A 2006-08-10 US disclosed
US-7074939-B2 Indole derivatives as anti-inflammatory agents ROCHE PALO ALTO LLC (US) 2006-07-11 US disclosed
US-20050176803-A1 Indole derivatives as anti-inflammatory agents BROKA CHRIS A (US) 2005-08-11 US disclosed
EP-1438289-B1 INDOLE DERIVATIVES AS COX II INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6872744-B2 Indole derivatives as anti-inflammatory agents SYNTEX (U.S.A.) LLC (US) 2005-03-29 US disclosed
EP-1438289-A1 INDOLE DERIVATIVES AS COX II INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-07-21 EP disclosed
US-20030130337-A1 Indole derivatives as anti-inflammatory agents SYNTEX (U.S.A.) LLC 2003-07-10 US disclosed
WO-2003029212-A1 INDOLE DERIVATIVES AS COX II INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 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 (3 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-20030130337-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 4/4885PTGS1 3/4885EGFR 4813/4885
US-20050176803-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885EGFR 4612/4885
US-20060178420-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885EGFR 4612/4885

“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.