SCHEMBL3742237

SCHEMBL3742237

CCOP(=O)(OCC)C(F)(F)c1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.52
CTSB P07858 4/20 0.52
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.52
TACR1 P25103 2/20 0.50
SRC P12931 1/20 0.47
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
CA5A P35218 1/20 0.45

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
SCHEMBL3742235 1.00 CTSL (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3735581 0.97 CTSL (0.51) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3735579 0.97 CTSL (0.51) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3743495 0.93 CTSL (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3743492 0.93 CTSL (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3733058 0.91 ITGB3 (0.55) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3733056 0.91 ITGB3 (0.55) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3732062 0.90 ITGB3 (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3732061 0.90 ITGB3 (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL3736633 0.88 TACR1 (0.54) CTSLCTSBCTSKCTSSTACR1

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 CTSL 3889/4885CTSB 1723/4885CTSK 3811/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 CTSL 3889/4885CTSB 1723/4885CTSK 3811/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 CTSL 3889/4885CTSB 1723/4885CTSK 3811/4885

“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.