SCHEMBL4009775

SCHEMBL4009775

CCc1c(I)cc(C(F)(F)P(=O)(O)O)c(Br)c1CC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.44
PGK2 P07205 2/20 0.44
PTPN2 P17706 10/20 0.41
PTPN1 P18031 8/20 0.40
PTPRC P08575 1/20 0.35

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
SCHEMBL4008292 0.83 PGK1 (0.49) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5404370 0.81 PGK1 (0.42) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5391918 0.81 PGK1 (0.42) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5986842 0.79 PTPN1 (0.41) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL4005577 0.79 PGK1 (0.44) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5394338 0.72 PGK1 (0.35) PGK1PGK2PTPN2PTPN1
SCHEMBL5414196 0.69 PTPN1 (0.39) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5394413 0.69 PTPN1 (0.42) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5398144 0.68 PTPN1 (0.40) PGK1PGK2PTPN2PTPN1PTPRC
SCHEMBL5398102 0.67 PGK1 (0.44) PGK1PGK2PTPN2PTPN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 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 (1 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-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PGK1 1901/4885PGK2 1459/4885PTPN2 5/4885

“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.