SCHEMBL3911034

SCHEMBL3911034

O=C(O)COc1c(C(=O)O)sc(-c2ccc(OCc3ccccc3)cc2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.60
PTPRC P08575 3/20 0.55
PTPN2 P17706 3/20 0.55
NR4A2 P43354 2/20 0.49
PTPRA P18433 1/20 0.47
MCL1 Q07820 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL3907472 0.88 PTPN1 (0.77) PTPN1PTPRCPTPN2NR4A2PPARD
SCHEMBL3903644 0.87 PTPN1 (0.71) PTPN1PTPRCPTPN2
SCHEMBL3910573 0.86 PTPN1 (0.78) PTPN1PTPRCPTPN2
SCHEMBL3913146 0.86 PTPN1 (0.60) PTPN1PTPRCPTPN2NR4A2PTPRA
SCHEMBL3908338 0.86 PTPN1 (0.57) PTPN1PTPRCPTPN2MCL1
SCHEMBL3908518 0.85 PTPN1 (0.68) PTPN1
SCHEMBL3906322 0.84 PTPN1 (0.73) PTPN1PTPRCPTPN2PPARD
SCHEMBL3907055 0.84 PTPN1 (0.72) PTPN1PTPRCPTPN2
SCHEMBL3906774 0.84 PTPN1 (0.55) PTPN1PTPRCPTPN2MCL1
SCHEMBL3917340 0.84 PTPN1 (0.55) PTPN1PTPRCPTPN2MCL1

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 11/4885PTPRC 5/4885PTPN2 17/4885

“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.