SCHEMBL3732009

SCHEMBL3732009

CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCCCOc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPY5R Q15761 1/20 0.43
MAPK1 P28482 1/20 0.42
F2 P00734 4/20 0.42
TMPRSS6 Q8IU80 4/20 0.42
LMNA P02545 1/20 0.42
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
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.40
ITGAV P06756 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
SCHEMBL3732011 1.00 ITGB3 (0.47) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3746406 0.90 ALDH1A1 (0.47) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3746409 0.90 ALDH1A1 (0.47) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3737944 0.89 ITGB3 (0.50) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3737946 0.89 ITGB3 (0.50) ITGB3ITGA2BALDH1A1MAPTNPY5R
SCHEMBL3743526 0.89 PTPN1 (0.44) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3740339 0.86 ITGB3 (0.49) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3740341 0.86 ITGB3 (0.49) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL3737276 0.86 PTPN1 (0.52) PTPN1
SCHEMBL3737278 0.86 PTPN1 (0.52) PTPN1

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.