SCHEMBL4126524

SCHEMBL4126524

O=C(O)COc1c(C(=O)O)sc2cc(-c3cccs3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.47
PTPN2 P17706 3/20 0.47
TNFRSF1A P19438 1/20 0.46
PTPRC P08575 2/20 0.44
GPR17 Q13304 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL4125811 0.84 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL4125670 0.81 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL4126876 0.80 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL4126991 0.80 PTPN1 (0.63) PTPN1PTPN2PTPRC
SCHEMBL4126654 0.80 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL4118995 0.79 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL4123945 0.79 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL4122921 0.79 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL4120104 0.79 PTPN1 (0.60) PTPN1PTPN2PTPRCKDM4EHPGD
SCHEMBL4127708 0.78 PTPN1 (0.49) 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 23/4885TNFRSF1A 1048/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885TNFRSF1A 1048/4885

“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.