SCHEMBL3905877

SCHEMBL3905877

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NC(=O)Cc3ccncc3)c2)c1Br

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.54
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
PTPN2 P17706 1/20 0.41
PRKACA P17612 1/20 0.40
ROCK1 Q13464 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
SCHEMBL3906864 0.91 PTPN1 (0.52) PTPN1HTTPTPN2
SCHEMBL3908601 0.89 PTPN1 (0.58) PTPN1HTTPTPN2
SCHEMBL3909474 0.88 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL3905706 0.88 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3911484 0.84 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3908817 0.84 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3910757 0.84 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3907605 0.83 PTPN1 (0.57) PTPN1LMNAPTPN2
SCHEMBL3908941 0.83 RAB9A (0.54) PTPN1HTTPTPN2
SCHEMBL3908374 0.82 PTPN1 (0.68) PTPN1PTPN2

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 11/4885LMNA 4870/4885HTT 3178/4885

“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.