SCHEMBL5733716

SCHEMBL5733716

C=Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.53
F13A1 P00488 6/20 0.53
TGM1 P22735 6/20 0.53
PKM P14618 1/20 0.53
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5733714 1.00 TGM2 (0.53) TGM2F13A1TGM1PKMCNR1
SCHEMBL5735526 0.84 TGM2 (0.57) TGM2F13A1TGM1PKMCNR1
SCHEMBL5735523 0.84 TGM2 (0.57) TGM2F13A1TGM1PKMCNR1
SCHEMBL5735808 0.81 F10 (0.57) PKMCNR1NPSR1
SCHEMBL5733444 0.81 F10 (0.57) PKMCNR1NPSR1
SCHEMBL5733446 0.81 F10 (0.57) PKMCNR1NPSR1
SCHEMBL14490324 0.78 NAMPT (0.52) TGM2F13A1TGM1PKM
Hydrochloric Acid SCHEMBL5735057 0.78 F13A1 (0.60) TGM2F13A1TGM1PKMCNR1
Hydrochloric Acid SCHEMBL5735062 0.78 F13A1 (0.60) TGM2F13A1TGM1PKMCNR1
SCHEMBL31514883 0.77 PKM (0.48) TGM2F13A1TGM1PKMALDH1A1

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-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed