SCHEMBL3732013

SCHEMBL3732013

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCOc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPY5R Q15761 1/20 0.41
MAPK1 P28482 1/20 0.40
F2 P00734 4/20 0.40
TMPRSS6 Q8IU80 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL3746413 0.91 ALDH1A1 (0.44) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3743530 0.89 PTPN1 (0.42) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3737946 0.88 ITGB3 (0.50) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3737944 0.88 ITGB3 (0.50) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3737282 0.87 PTPN1 (0.50) PTPN1
SCHEMBL3732011 0.86 ITGB3 (0.47) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3732009 0.86 ITGB3 (0.47) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3740341 0.85 ITGB3 (0.49) ITGB3ITGA2BALDH1A1MAPTMAPK1
SCHEMBL3740339 0.85 ITGB3 (0.49) ITGB3ITGA2BALDH1A1MAPTMAPK1
SCHEMBL3736054 0.84 ITGB3 (0.49) ITGB3ITGA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGB3 4528/4885ITGA2B 3660/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885ALDH1A1 765/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885ALDH1A1 765/4885

“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.