SCHEMBL5117847

SCHEMBL5117847

Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 1.00
PTGS1 P23219 15/20 1.00
SLC2A1 P11166 1/20 0.47

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
SCHEMBL5107304 0.92 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL5116547 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5109155 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5115827 0.87 PTGS2 (1.00) PTGS2PTGS1SLC2A1
SCHEMBL28742756 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5103122 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5109341 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5106342 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5102776 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5102759 0.80 PTGS2 (1.00) 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 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
CN-1261412-C Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2006-06-28 CN 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
CN-1561334-A Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2005-01-05 CN disclosed
US-20030130337-A1 Indole derivatives as anti-inflammatory agents SYNTEX (U.S.A.) LLC 2003-07-10 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 (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 3/4885SLC2A1 2699/4885
US-20050176803-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885SLC2A1 3585/4885
US-20060178420-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885SLC2A1 3585/4885

“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.