SCHEMBL3740541

SCHEMBL3740541

O=C(NCCCCc1ccccc1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
F2 P00734 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPY5R Q15761 1/20 0.46
PTPN1 P18031 4/20 0.45
PTPN2 P17706 2/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
MMP9 P14780 3/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
AVPR1A P37288 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 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
SCHEMBL3740543 1.00 MMP2 (0.50) MMP2ADAMTS5F2TMPRSS6ALDH1A1
SCHEMBL3745613 0.94 F2 (0.49) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3745612 0.94 F2 (0.49) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3730063 0.91 NPY5R (0.56) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3730065 0.91 NPY5R (0.56) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3745706 0.91 MMP7 (0.47) F2TMPRSS6ALDH1A1MAPTNPY5R
SCHEMBL3745709 0.91 MMP7 (0.47) F2TMPRSS6ALDH1A1MAPTNPY5R
SCHEMBL3740533 0.89 BMP1 (0.51) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3740529 0.89 BMP1 (0.51) MMP2F2TMPRSS6ALDH1A1MAPT
SCHEMBL3738168 0.86 ITGB3 (0.47) MMP2ADAMTS5F2TMPRSS6ALDH1A1

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 MMP2 299/4885ADAMTS5 1561/4885F2 4506/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MMP2 299/4885ADAMTS5 1561/4885F2 4506/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MMP2 299/4885ADAMTS5 1561/4885F2 4506/4885

“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.