SCHEMBL8105340

SCHEMBL8105340

COc1ccc(Nc2cc(S(N)(=O)=O)ccc2NS(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.57
PTGS2 P35354 1/20 0.57
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL8099553 0.84 PTGS1 (0.56) PTGS1PTGS2LMNACA1CA2
SCHEMBL8101123 0.84 PTGS1 (0.56) PTGS1PTGS2LMNACA1CA2
SCHEMBL8105031 0.84 SOS1 (0.59) PTGS1PTGS2CA1CA2CA12
SCHEMBL8105274 0.84 CA2 (0.50) PTGS1PTGS2CA1CA2CA12
SCHEMBL8101084 0.82 MAPT (0.54) PTGS2GAACA1CA2CA12
SCHEMBL10952940 0.79 PTGS1 (0.60) PTGS1PTGS2LMNAGAAMAPK1
SCHEMBL28747203 0.78 CA1 (0.67) PTGS1PTGS2GAAMAPK1CA1
SCHEMBL11691652 0.78 ALDH3A1 (0.76) LMNAGAAMAPK1ALDH3A1MAPT
SCHEMBL8107818 0.78 ALDH3A1 (0.61) LMNAGAAMAPK1CA1CA2
SCHEMBL11152945 0.77 CA1 (0.56) PTGS1PTGS2LMNAGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed