SCHEMBL3917669

SCHEMBL3917669

CCOC(=O)COc1c(C#N)sc(-c2cccc(N(C)C3CCCCC3)c2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.40
MAP4K4 O95819 1/20 0.38
SQOR Q9Y6N5 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL3916800 0.83 PTPN1 (0.60) PTPN1
SCHEMBL3914518 0.82 PTPN1 (0.57) PTPN1MAP4K4
SCHEMBL3917670 0.81 PTPN1 (0.61) PTPN1
SCHEMBL3905285 0.80 PTPN1 (0.58) PTPN1SQOR
SCHEMBL3911855 0.80 MAP4K4 (0.37) PTPN1MAP4K4ESR1
SCHEMBL3906664 0.80 MAP4K4 (0.37) PTPN1MAP4K4ESR1
SCHEMBL3918753 0.80 PTPN1 (0.53) PTPN1SQOR
SCHEMBL6261904 0.79 PTPN1 (0.39) PTPN1SQOR
SCHEMBL6266144 0.78 PTPN1 (0.46) PTPN1
SCHEMBL3909755 0.76 PTPN1 (0.46) PTPN1

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 11/4885MAP4K4 440/4885SQOR 851/4885

“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.