SCHEMBL4121439

SCHEMBL4121439

Cc1cc(NC(=O)c2ccc3c(OCC(=O)O)c(C(=O)O)sc3c2)sn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.43
PTPN2 P17706 4/20 0.39
PTPRC P08575 3/20 0.39
RIPK1 Q13546 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4136093 0.84 KMT2A (0.38) NPC1RAB9AKDM4EHTTMAOA
SCHEMBL4121383 0.81 ALDH1A1 (0.45) PTPN1PTPN2PTPRCNPC1RAB9A
SCHEMBL4120133 0.78 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL4120616 0.78 RAB9A (0.51) NPC1RAB9AKDM4EHTT
SCHEMBL4126845 0.76 PTPN1 (0.44) PTPN1PTPN2PTPRCRIPK1NPC1
SCHEMBL4127309 0.76 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL13926050 0.75 MCL1 (0.57) PTPN1PTPN2PTPRCNPC1RAB9A
SCHEMBL4118684 0.75 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL4132062 0.74 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL4125928 0.74 PTPN1 (0.45) PTPN1PTPN2PTPRC

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 11/4885PTPN2 23/4885PTPRC 13/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885PTPRC 13/4885

“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.