SCHEMBL7072152

SCHEMBL7072152

O=C(O)c1ccccc1CS(=O)(=O)N1CCN(c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TEAD4 Q15561 1/20 0.42
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
CHRM4 P08173 1/20 0.40
THRB P10828 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL7077616 0.89 TP53 (0.45) MAPTKMT2ATP53POLBTHRB
SCHEMBL7072493 0.89 TP53 (0.43) MAPTALDH1A1TP53POLBCHRM4
SCHEMBL7078026 0.82 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2A
SCHEMBL7072133 0.81 MCL1 (0.50) MAPTALDH1A1MEN1KMT2ATEAD4
SCHEMBL7072501 0.77 PTGDR (0.52) ALDH1A1MEN1KMT2ACHRM4PTGDR
SCHEMBL7077191 0.72 MMP2 (0.54) ALDH1A1TP53
SCHEMBL7079825 0.72 MAPT (0.48) MAPTALDH1A1KMT2ATP53POLB
SCHEMBL7074307 0.72 MMP1 (0.44) MAPTALDH1A1MEN1KMT2ACHRM4
SCHEMBL7072843 0.72 KDM4E (0.62) MAPTALDH1A1MEN1KMT2A
SCHEMBL7072350 0.72 CYP1A2 (0.55) MAPTALDH1A1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed