SCHEMBL5116473

SCHEMBL5116473

COC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.80
PTGS1 P23219 4/20 0.80
TUBB4A P04350 7/20 0.68
TUBB P07437 7/20 0.68
TUBA3C P0DPH7 7/20 0.68
TUBA1B P68363 7/20 0.68
TUBA4A P68366 7/20 0.68
TUBB4B P68371 7/20 0.68
TUBB3 Q13509 7/20 0.68
TUBB2A Q13885 7/20 0.68
TUBB8 Q3ZCM7 7/20 0.68
TUBA3E Q6PEY2 7/20 0.68
TUBA1A Q71U36 7/20 0.68
TUBA1C Q9BQE3 7/20 0.68
TUBB6 Q9BUF5 7/20 0.68
TUBB2B Q9BVA1 7/20 0.68
TUBB1 Q9H4B7 7/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TP53 P04637 2/20 0.48

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
SCHEMBL5798445 0.81 TUBB4A (1.00) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL5106346 0.80 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2A
SCHEMBL670870 0.79 PTGS2 (0.61) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL5103160 0.78 PTGS2 (0.77) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL5116569 0.78 PTGS2 (0.79) PTGS2PTGS1MEN1KMT2A
SCHEMBL5114748 0.76 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8938425 0.75 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806250 0.75 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5106253 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6632777 0.73 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 3/4885TUBB4A 2545/4885
US-20050176803-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885TUBB4A 2010/4885
US-20060178420-A1 Indole derivatives as anti-inflammatory agents IDO1, IDO2, PTGS1 PTGS2 5/4885PTGS1 3/4885TUBB4A 2010/4885

“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.