Sugi Predict

Sugi Predict / Compounds / SCHEMBL24166326

SCHEMBL24166326

SCHEMBL24166326

COc1ccc(C(OCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2OCC(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ HINT1 P49773 1/20 0.30

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
SCHEMBL23487475 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL27250709 0.94 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL6519372 0.93 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL668619 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL23138150 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL30866953 0.92 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL17861001 0.92 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24166806 0.92 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL22401412 0.92 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL1598576 0.92 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD

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-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 — — EP disclosed