Sugi Predict

Sugi Predict / Compounds / SCHEMBL5769588

SCHEMBL5769588

SCHEMBL5769588

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN[C@H]2CNC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.59
▸ OPRM1 P35372 9/20 0.49
▸ RAB9A P51151 2/20 0.46
▸ OPRK1 P41145 6/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ NPC1 O15118 2/20 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
SCHEMBL5770525 0.90 PTPN1 (0.65) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5770158 0.88 PTPN1 (0.63) PTPN1OPRM1OPRK1OPRD1
SCHEMBL5769105 0.85 PTPN1 (0.59) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5771521 0.85 PTPN1 (0.61) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5770489 0.84 PTPN1 (0.55) PTPN1RAB9AMEN1KMT2A
SCHEMBL5769077 0.83 PTPN1 (0.59) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5810837 0.83 RAB9A (0.51) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5810842 0.83 RAB9A (0.51) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5769028 0.82 PTPN1 (0.58) PTPN1OPRM1RAB9AOPRK1OPRD1
SCHEMBL5773123 0.82 PTPN1 (0.58) PTPN1MEN1KMT2A

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
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 — — EP disclosed