SCHEMBL5733441

SCHEMBL5733441

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2=Cc3c(Cl)cccc3OC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.46
TGM2 P21980 12/20 0.46
F13A1 P00488 9/20 0.46
TGM1 P22735 6/20 0.46
TGM3 Q08188 1/20 0.44
MAPK8 P45983 1/20 0.42
POLB P06746 2/20 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
SCHEMBL5733782 0.84 TGM2 (0.47) TGM2F13A1TGM1TGM3
Hydrochloric Acid SCHEMBL5736580 0.82 CNR1 (0.45) STSTGM2
Hydrochloric Acid SCHEMBL5736583 0.82 CNR1 (0.45) STSTGM2
SCHEMBL5734380 0.81 TGM2 (0.48) STSTGM2F13A1TGM1TGM3
SCHEMBL5734167 0.81 TGM2 (0.48) STSTGM2F13A1TGM1TGM3
SCHEMBL28919020 0.78 STS (0.63) STSTGM2F13A1TGM1TGM3
SCHEMBL13239816 0.75 TGM2 (0.59) STSTGM2F13A1TGM1TGM3
SCHEMBL5253160 0.73 POLB (0.70) STSTGM2F13A1TGM1POLB
SCHEMBL2252120 0.72 TGM2 (0.63) TGM2F13A1TGM1
SCHEMBL3248533 0.71 TGM2 (0.55) STSTGM2F13A1TGM1TGM3

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