SCHEMBL3740536

SCHEMBL3740536

COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(OP(=O)(O)C(F)F)cc2)C(=O)NCCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.51
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
SRC P12931 1/20 0.49
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.46
NPY5R Q15761 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP1 P03956 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KEAP1 Q14145 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 1/20 0.44
SGMS1 Q86VZ5 1/20 0.43

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
SCHEMBL3730068 0.93 NPY5R (0.54) BMP1MMP2MMP9SRCPOLB
SCHEMBL3740548 0.92 MMP2 (0.48) BMP1MMP2MMP9SRCNPY5R
SCHEMBL3741713 0.88 SRC (0.54) MMP2MMP9SRCMMP8MMP1
SCHEMBL3745711 0.88 SRC (0.46) BMP1MMP2MMP9SRCPOLB
SCHEMBL3740529 0.87 BMP1 (0.51) BMP1MMP2MMP9SRCHSD17B10
SCHEMBL3740533 0.87 BMP1 (0.51) BMP1MMP2MMP9SRCHSD17B10
SCHEMBL3738151 0.86 SRC (0.52) MMP2MMP9SRCMMP8MMP1
SCHEMBL3735525 0.86 SRC (0.46) SRCNPY5RMAPK1
SCHEMBL3738294 0.86 SRC (0.51) MMP2MMP9SRCNPY5RMMP1
SCHEMBL3745655 0.85 SRC (0.51) MMP2MMP9SRCMMP8MMP1

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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 BMP1 994/4885MMP2 299/4885MMP9 1573/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 BMP1 994/4885MMP2 299/4885MMP9 1573/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 BMP1 994/4885MMP2 299/4885MMP9 1573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.