SCHEMBL5114766

SCHEMBL5114766

Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 15/20 1.00
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
BRD4 O60885 1/20 0.41

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
SCHEMBL5102772 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3368897 0.84 PTGS2 (0.73) PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL5106288 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5106300 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL13384027 0.76 PTGS1 (0.62) PTGS2PTGS1
SCHEMBL3369835 0.76 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL1406038 0.74 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5117847 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5115855 0.73 PTGS2 (1.00) PTGS2PTGS1BRD4
SCHEMBL7363201 0.73 PTGS2 (0.56) PTGS2PTGS1CYP11B1CYP11B2

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 3/4885CYP11B1 171/4885
US-20050176803-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885CYP11B1 251/4885
US-20060178420-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885CYP11B1 251/4885

“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.