SCHEMBL3740355

SCHEMBL3740355

NCCS(=O)(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.47
PTPN2 P17706 4/20 0.47
PTPN6 P29350 2/20 0.46
PTPN11 Q06124 2/20 0.46
GRIA1 P42261 3/20 0.43
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRND Q07001 2/20 0.42
PTPRA P18433 1/20 0.42
MLYCD O95822 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL3740358 1.00 PTPN1 (0.47) PTPN1PTPN2PTPN6PTPN11GRIA1
SCHEMBL3741888 0.94 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3741890 0.94 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3745653 0.90 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3745650 0.90 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3742626 0.89 PTPN1 (0.48) PTPN1PTPN2PTPN6PTPN11SRC
SCHEMBL3742629 0.89 PTPN1 (0.48) PTPN1PTPN2PTPN6PTPN11SRC
SCHEMBL3741706 0.87 PTPN1 (0.50) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3748680 0.87 PTPN1 (0.50) PTPN1PTPN2PTPN6PTPN11PTPRA
SCHEMBL3748675 0.87 PTPN1 (0.50) PTPN1PTPN2PTPN6PTPN11PTPRA

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 PTPN1 2/4885PTPN2 5/4885PTPN6 10/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPN6 10/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPN6 10/4885

“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.