SCHEMBL4864009

SCHEMBL4864009

COc1ccc(S(=O)(=O)NC(Cc2cc[c]cc2)C(=O)NCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.56
MMP2 P08253 6/20 0.56
MMP9 P14780 3/20 0.56
HSD17B10 Q99714 1/20 0.53
NPY5R Q15761 1/20 0.51
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.48
AVPR1B P47901 1/20 0.47
MMP1 P03956 4/20 0.47
MMP3 P08254 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
KEAP1 Q14145 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL4864003 1.00 BMP1 (0.56) BMP1MMP2MMP9HSD17B10NPY5R
SCHEMBL4857259 0.90 NPY5R (0.62) MMP2MMP9NPY5RALDH1A1
SCHEMBL4857262 0.90 NPY5R (0.62) MMP2MMP9NPY5RALDH1A1
SCHEMBL4858181 0.88 MMP2 (0.56) BMP1MMP2MMP9NPY5RALDH1A1
SCHEMBL4858174 0.88 MMP2 (0.56) BMP1MMP2MMP9NPY5RALDH1A1
SCHEMBL3740529 0.84 BMP1 (0.51) BMP1MMP2MMP9HSD17B10NPY5R
SCHEMBL3740536 0.84 BMP1 (0.51) BMP1MMP2MMP9HSD17B10NPY5R
SCHEMBL3740533 0.84 BMP1 (0.51) BMP1MMP2MMP9HSD17B10NPY5R
SCHEMBL6021438 0.84 MMP2 (0.63) BMP1MMP2MMP9HSD17B10POLB
SCHEMBL4865492 0.83 NPY5R (0.45) BMP1MMP2MMP9NPY5RALDH1A1

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
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed