SCHEMBL3913458

SCHEMBL3913458

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NCc3ccccc3C(F)(F)F)c2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.51
PTPN2 P17706 4/20 0.48
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3915394 0.90 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3917129 0.89 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3910770 0.89 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3909883 0.87 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL3913887 0.87 PTPN1 (0.68) PTPN1PTPN2
SCHEMBL3916110 0.87 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3905445 0.86 PTPN1 (0.51) PTPN1PTPN2ABL1SRC
SCHEMBL3916453 0.85 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL3908609 0.85 PTPN1 (0.52) PTPN1TP53
SCHEMBL3916807 0.85 PTPN1 (0.49) PTPN1PTPN2TP53

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 17/4885ABL1 85/4885

“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.