SCHEMBL3906987

SCHEMBL3906987

CC(=O)N(Cc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2C)c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
PTPRC P08575 2/20 0.42
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.40
PPARD Q03181 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL3907302 0.93 PTPN1 (0.45) PTPN1PTPRCPTPN2PTPN6PPARD
SCHEMBL3913582 0.91 PTPN1 (0.45) PTPN1GPBAR1PTPRCPTPN2PTPN6
SCHEMBL3911995 0.91 PTPN1 (0.57) PTPN1PTPRCPTPN2
SCHEMBL3909094 0.89 PTPN1 (0.52) PTPN1PTPRCPTPN2
SCHEMBL3909535 0.89 PTPN1 (0.45) PTPN1PTPRCPTPN2PTPN6PPARD
SCHEMBL3905557 0.87 PTPN1 (0.50) PTPN1PTPRCPTPN2
SCHEMBL3916997 0.85 PTPN1 (0.47) PTPN1PTPRCPTPN2PTPN6PPARD
SCHEMBL3912810 0.85 PTPN1 (0.47) PTPN1PTPRCPTPN2
SCHEMBL3909026 0.85 PTPN1 (0.53) PTPN1PTPRCPTPN2PPARD
SCHEMBL3920948 0.84 PTPN1 (0.52) PTPN1PTPRCPTPN2PPARD

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 11/4885GPBAR1 2213/4885PTPRC 5/4885

“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.