SCHEMBL3735939

SCHEMBL3735939

CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCCCCOc2ccccc2C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.47
PTPRA P18433 2/20 0.47
KIFC1 Q9BW19 1/20 0.45
PTPN22 Q9Y2R2 3/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TERT O14746 1/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL3735941 1.00 PTPN1 (0.47) PTPN1PTPRAKIFC1PTPN22PTPRF
SCHEMBL3798551 0.91 PTPN1 (0.48) PTPN1PTPRAKIFC1PTPN22PTPRF
SCHEMBL3798553 0.91 PTPN1 (0.48) PTPN1PTPRAKIFC1PTPN22PTPRF
SCHEMBL3732014 0.90 PTPN1 (0.48) PTPN1PTPRAPTPN22PTPRFPTPN2
SCHEMBL3732017 0.90 PTPN1 (0.48) PTPN1PTPRAPTPN22PTPRFPTPN2
SCHEMBL3736085 0.90 PTPN1 (0.57) PTPN1PTPRAPTPN22PTPRFPTPN2
SCHEMBL3736084 0.90 PTPN1 (0.57) PTPN1PTPRAPTPN22PTPRFPTPN2
SCHEMBL3732061 0.89 ITGB3 (0.52) CTSLCTSBCTSSCTSKTACR1
SCHEMBL3732062 0.89 ITGB3 (0.52) CTSLCTSBCTSSCTSKTACR1
SCHEMBL3733056 0.86 ITGB3 (0.55) CTSLCTSBCTSSCTSKTACR1

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 PTPN1 2/4885PTPRA 27/4885KIFC1 4148/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPRA 27/4885KIFC1 4148/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPRA 27/4885KIFC1 4148/4885

“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.