Sugi Predict

Sugi Predict / Compounds / SCHEMBL6370435

SCHEMBL6370435

SCHEMBL6370435

Cc1cccc(N(C)C(=O)C(C2CCNCC2)S(=O)(=O)Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.58
▸ PTPN2 P17706 3/20 0.49

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
SCHEMBL3909588 0.88 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3907908 0.82 PTPN1 (0.65) PTPN1PTPN2
SCHEMBL3908288 0.81 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL3908790 0.80 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3912215 0.80 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL3909551 0.78 PTPN1 (0.65) PTPN1PTPN2
SCHEMBL3912289 0.77 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL3910743 0.77 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3914931 0.77 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL3906814 0.77 PTPN1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — WO disclosed