SCHEMBL3909263

SCHEMBL3909263

CC(=O)N(CCc1ccc(Cl)cc1)Cc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.45
PTPN2 P17706 3/20 0.42
PTPRC P08575 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
PTGIR P43119 2/20 0.38
C5AR1 P21730 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
SCHEMBL3905224 0.93 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL3909783 0.92 PTPN1 (0.45) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL3916896 0.92 PTPN1 (0.56) PTPN1PTPN2PTPRC
SCHEMBL3911985 0.88 PTPN1 (0.51) PTPN1PTPN2PTPRC
SCHEMBL3905626 0.88 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL3913512 0.86 PTPN1 (0.52) PTPN1PTPN2PTPRC
SCHEMBL3915430 0.85 PTPN1 (0.52) PTPN1PTPN2PTPRC
SCHEMBL3908520 0.85 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL3912810 0.85 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL3917540 0.85 PTPN1 (0.47) 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 11/4885PTPN2 17/4885PTPRC 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.