SCHEMBL22200412

SCHEMBL22200412

COc1cc2sc(C(F)(F)CCC(=O)O)cc2c(F)c1OC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.64
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL24175604 0.91 STING1 (0.54) STING1POLBFFAR4
SCHEMBL22200458 0.89 STING1 (0.54) STING1SMN1; SMN2
SCHEMBL22200410 0.88 STING1 (0.53) STING1SMN1; SMN2
SCHEMBL24175099 0.88 STING1 (0.50) STING1POLBMAPK1SMN1; SMN2
SCHEMBL24175193 0.87 STING1 (0.48) STING1POLBMAPK1SMN1; SMN2
SCHEMBL24175179 0.85 STING1 (0.47) STING1POLBMAPK1SMN1; SMN2
SCHEMBL22200404 0.84 STING1 (0.48) STING1
SCHEMBL24175195 0.84 STING1 (0.54) STING1
SCHEMBL24175062 0.83 STING1 (0.52) STING1
SCHEMBL24175221 0.83 STING1 (0.63) STING1

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
WO-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 WO disclosed
EP-3907221-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-11-10 EP disclosed
WO-2020140894-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 中国科学院上海药物研究所 2020-07-09 WO disclosed