SCHEMBL25036632

SCHEMBL25036632

C=Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.55
PTPN2 P17706 2/20 0.51
PTPRC P08575 1/20 0.51

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
SCHEMBL25036950 0.90 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL25034837 0.87 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL3909016 0.85 PTPN1 (0.61) PTPN1PTPN2PTPRC
SCHEMBL13867935 0.85 PTPN1 (0.61) PTPN1PTPN2PTPRC
SCHEMBL3910849 0.84 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL3906558 0.84 PTPN1 (0.74) PTPN1PTPN2PTPRC
SCHEMBL3915438 0.84 PTPN1 (0.68) PTPN1PTPN2PTPRC
SCHEMBL3906597 0.83 PTPN1 (0.71) PTPN1PTPN2PTPRC
SCHEMBL3911698 0.83 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL3916849 0.82 PTPN1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed