SCHEMBL3743412

SCHEMBL3743412

O=C(NCCCOc1cccc(Cl)c1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
TMPRSS6 Q8IU80 4/20 0.44
PTPN1 P18031 5/20 0.43
MAPK1 P28482 1/20 0.43
PTPN2 P17706 2/20 0.43
PTPRB P23467 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
NPY5R Q15761 1/20 0.42
HTRA1 Q92743 3/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL3743416 1.00 F2 (0.44) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3740341 0.92 ITGB3 (0.49) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3740339 0.92 ITGB3 (0.49) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3738167 0.91 ITGB3 (0.47) F2TMPRSS6PTPN1MAPK1ITGB3
SCHEMBL3738168 0.91 ITGB3 (0.47) F2TMPRSS6PTPN1MAPK1ITGB3
SCHEMBL3737944 0.91 ITGB3 (0.50) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3737946 0.91 ITGB3 (0.50) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3733098 0.91 ITGB3 (0.44) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3733093 0.91 ITGB3 (0.44) F2TMPRSS6PTPN1MAPK1PTPN2
SCHEMBL3742687 0.88 ADAMTS4 (0.44) F2TMPRSS6PTPN1MAPK1PTPN2

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 F2 4506/4885TMPRSS6 1963/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 F2 4506/4885TMPRSS6 1963/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 F2 4506/4885TMPRSS6 1963/4885PTPN1 2/4885

“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.