SCHEMBL6574820

SCHEMBL6574820

NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(OC(C(=O)O)C(=O)O)cc2)NC(=O)CCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.47
CA1 P00915 9/20 0.47
CA9 Q16790 4/20 0.46
CA4 P22748 3/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA5A P35218 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GPR35 Q9HC97 1/20 0.45
KMT2A Q03164 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
SCHEMBL6574814 1.00 CA2 (0.47) CA2CA1CA9CA4CA12
SCHEMBL6573106 0.88 GRIA1 (0.50)
SCHEMBL6573110 0.88 GRIA1 (0.50)
SCHEMBL6575538 0.84 SRD5A2 (0.45) KMT2A
SCHEMBL8111055 0.84 KMT2A (0.47) CA2CA1CA9CA4CA12
SCHEMBL6572828 0.83 SRC (0.55)
SCHEMBL6572832 0.83 SRC (0.55)
SCHEMBL6573593 0.81 PTPN1 (0.46)
SCHEMBL6573589 0.81 PTPN1 (0.46)
SCHEMBL6571434 0.80 PTPN1 (0.62)

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
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed