SCHEMBL3742633

SCHEMBL3742633

CCCCCCCCCCCCS(=O)(=O)N[C@@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.49
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PLG P00747 4/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
PTPN1 P18031 4/20 0.42
KLKB1 P03952 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL3741892 0.92 SRC (0.51) SRCITGB3ITGA2BMMP1MMP2
SCHEMBL3740365 0.89 SRC (0.49) SRCITGB3ITGA2B
SCHEMBL3745655 0.88 SRC (0.51) SRCITGB3ITGA2BPLGMMP1
SCHEMBL3741713 0.87 SRC (0.54) SRCITGB3ITGA2BPLGPTPN1
SCHEMBL3738151 0.86 SRC (0.52) SRCMMP1MMP2MMP3MMP9
SCHEMBL3738294 0.85 SRC (0.51) SRCPTPN1MMP1MMP2MMP9
SCHEMBL3742626 0.84 PTPN1 (0.48) SRCPTPN1S1PR4S1PR1S1PR3
SCHEMBL3742629 0.84 PTPN1 (0.48) SRCPTPN1S1PR4S1PR1S1PR3
SCHEMBL3748684 0.84 SRC (0.50) SRCMMP1MMP2MMP9MMP8
SCHEMBL3730068 0.83 NPY5R (0.54) SRCMMP2MMP9

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 9 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 SRC 174/4885ITGB3 4528/4885ITGA2B 3660/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 SRC 174/4885ITGB3 4528/4885ITGA2B 3660/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SRC 174/4885ITGB3 4528/4885ITGA2B 3660/4885

“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.