SCHEMBL3740533

SCHEMBL3740533

COc1ccc(S(=O)(=O)NC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)C(=O)NCCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.51
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.46
NPY5R Q15761 1/20 0.46
F2 P00734 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
MAPK1 P28482 1/20 0.46
SRC P12931 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP1 P03956 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL3740529 1.00 BMP1 (0.51) BMP1MMP2MMP9ALDH1A1HSD17B10
SCHEMBL3745613 0.92 F2 (0.49) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3745612 0.92 F2 (0.49) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3730063 0.91 NPY5R (0.56) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3730065 0.91 NPY5R (0.56) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3740541 0.89 MMP2 (0.50) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3740543 0.89 MMP2 (0.50) MMP2MMP9ALDH1A1MAPTNPY5R
SCHEMBL3740536 0.87 BMP1 (0.51) BMP1MMP2MMP9ALDH1A1HSD17B10
SCHEMBL3745709 0.85 MMP7 (0.47) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3745706 0.85 MMP7 (0.47) ALDH1A1MAPTNPY5RF2TMPRSS6

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.