SCHEMBL5107367

SCHEMBL5107367

CCCCNC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
PTGS1 P23219 4/20 0.55
MAPT P10636 2/20 0.42
TP53 P04637 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPY1R P25929 1/20 0.40
RECQL P46063 1/20 0.40
NPY2R P49146 1/20 0.40

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
SCHEMBL5104564 0.94 PTGS2 (0.57) PTGS2PTGS1MAPTTP53
SCHEMBL5109297 0.90 PTGS2 (0.69) PTGS2PTGS1MAPTTP53
SCHEMBL5109194 0.89 PTGS2 (0.59) PTGS2PTGS1MAPTTP53MEN1
SCHEMBL5116650 0.86 PTGS2 (0.62) PTGS2PTGS1KMT2A
SCHEMBL5114318 0.84 PTGS2 (0.72) PTGS2PTGS1MAPT
SCHEMBL5109317 0.83 PTGS2 (0.61) PTGS2PTGS1MAPTTP53MEN1
SCHEMBL5107379 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5114300 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5115108 0.80 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5107441 0.80 PTGS2 (0.61) 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
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 3/4885MAPT 2905/4885
US-20050176803-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885MAPT 2199/4885
US-20060178420-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885MAPT 2199/4885

“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.