SCHEMBL3736054

SCHEMBL3736054

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NCCCCOc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 11/20 0.49
ITGAV P06756 1/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
TACR1 P25103 1/20 0.44
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL3733061 0.98 ITGB3 (0.52) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL3738549 0.93 ITGB3 (0.51) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL3740554 0.93 ITGB3 (0.51) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL3732066 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL5516497 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL5516504 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL3736086 0.88 PTPN1 (0.55)
SCHEMBL3732019 0.87 PTPN1 (0.48)
SCHEMBL3732061 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVCTSSCTSK
SCHEMBL3732062 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVCTSSCTSK

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 5 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
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 ITGB3 4528/4885ITGA2B 3660/4885ITGAV 4827/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885ITGAV 4827/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885ITGAV 4827/4885

“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.