SCHEMBL3908129

SCHEMBL3908129

Cc1c(-c2ccc(NC(=O)c3ccco3)cc2)sc(C(=O)O)c1OCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.79
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
PTPN2 P17706 3/20 0.52
PTPRC P08575 2/20 0.52
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.47
PLA2G1B P04054 1/20 0.47
MAPK1 P28482 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL3911584 0.90 PTPN1 (0.64) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3907098 0.88 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL3905887 0.88 PTPN1 (0.79) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3907247 0.85 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL3907167 0.83 PTPN1 (0.60) PTPN1ALDH1A1MEN1KMT2APTPN2
SCHEMBL3914679 0.83 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL3911607 0.82 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL3906391 0.82 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL3910974 0.81 PTPN1 (0.62) PTPN1PTPN2PTPRC
SCHEMBL3908611 0.81 PTPN1 (0.78) 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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-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 (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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885ALDH1A1 2158/4885MEN1 4677/4885

“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.