SCHEMBL3735130

SCHEMBL3735130

O=C(N[C@@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)C(=O)NCCCCOc1cccc(O)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
HDAC8 Q9BY41 2/20 0.46
CHRNA1 P02708 3/20 0.46
CHRNG P07510 3/20 0.46
CHRNB1 P11230 3/20 0.46
CHRND Q07001 3/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
F2 P00734 2/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
SRC P12931 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
SCHEMBL5516508 0.94 ITGB3 (0.55) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3749757 0.91 ITGB3 (0.56) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3737601 0.88 ITGB3 (0.49) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3730018 0.87 SRC (0.55) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3735127 0.87 ITGB3 (0.49) ITGB3ITGA2BHDAC8CHRNA1CHRNG
SCHEMBL3735126 0.87 ITGB3 (0.49) ITGB3ITGA2BHDAC8CHRNA1CHRNG
SCHEMBL3742534 0.86 HDAC8 (0.55) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3743063 0.86 ITGB3 (0.53) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3730050 0.86 ITGB3 (0.55) ITGB3ITGA2BHDAC8CTSLCTSB
SCHEMBL3742962 0.86 CTSS (0.52) ITGB3ITGA2BHDAC8CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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
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 3660/4885HDAC8 4477/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885HDAC8 4477/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 ITGB3 4528/4885ITGA2B 3660/4885HDAC8 4477/4885

“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.