SCHEMBL4132062

SCHEMBL4132062

Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc2c(OCC(=O)O)c(C(=O)O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.47
NTRK1 P04629 1/20 0.46
POLB P06746 1/20 0.45
GRM5 P41594 5/20 0.44
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
LMNA P02545 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
SCHEMBL4119888 0.87 NTRK1 (0.44) NTRK1POLBGRM5LMNA
SCHEMBL4126845 0.78 PTPN1 (0.44) PTPN1PTPRCPTPN2LMNA
SCHEMBL4119836 0.74 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL4125811 0.74 PTPN1 (0.55) PTPN1PTPRCPTPN2
SCHEMBL4120133 0.74 PTPN1 (0.49) PTPN1PTPRCPTPN2
SCHEMBL4121439 0.74 PTPN1 (0.43) PTPN1PTPRCPTPN2
SCHEMBL4126207 0.74 PTPN1 (0.62) PTPN1PTPRCPTPN2
SCHEMBL4120616 0.74 RAB9A (0.51) POLBLMNA
SCHEMBL4132071 0.74 PTPN1 (0.42) PTPN1PTPRCPTPN2
SCHEMBL4121383 0.74 ALDH1A1 (0.45) PTPN1PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885NTRK1 1724/4885POLB 3952/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885NTRK1 1724/4885POLB 3952/4885

“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.