SCHEMBL6795476

SCHEMBL6795476

C=C(CS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.61
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
CA12 O43570 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA1 P00915 2/20 0.58
HPGD P15428 1/20 0.58
LMNA P02545 3/20 0.56
PTPN1 P18031 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5919480 0.82 MMP1 (0.64) PRMT1KMT2AMEN1CA12CA2
SCHEMBL5491920 0.80 HSD11B1 (0.56) KMT2ACA12CA2CA9HTT
SCHEMBL7394965 0.78 CA12 (0.56) KMT2AMEN1CA12CA2CA9
SCHEMBL7867105 0.77 KDM4E (0.68) PRMT1KMT2AMEN1CA12CA2
SCHEMBL9711239 0.76 PRMT1 (0.63) PRMT1KMT2AMEN1CA12CA2
SCHEMBL28203756 0.76 PRMT1 (0.63) PRMT1KMT2AMEN1CA12CA2
SCHEMBL14679075 0.76 PRMT1 (0.77) PRMT1KMT2AMEN1CA12CA2
SCHEMBL126415 0.74 PTPN1 (0.87) PRMT1KMT2AMEN1PTPN1CACNA1B
SCHEMBL8422583 0.74 CA2 (1.00) PRMT1KMT2AMEN1CA12CA2
SCHEMBL3107195 0.74 PRMT1 (0.75) PRMT1KMT2AMEN1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed