SCHEMBL22200404

SCHEMBL22200404

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 9/20 0.48
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22200412 0.84 STING1 (0.64) STING1
SCHEMBL22200458 0.83 STING1 (0.54) STING1ALDH1A1LMNA
SCHEMBL22200409 0.82 STING1 (0.44) STING1
SCHEMBL22200410 0.82 STING1 (0.53) STING1ALDH1A1LMNA
SCHEMBL22200414 0.82 STING1 (0.47) STING1ALDH1A1LMNAL3MBTL1
SCHEMBL24175221 0.79 STING1 (0.63) STING1
SCHEMBL24175795 0.78 STING1 (0.53) STING1ALDH1A1L3MBTL1
SCHEMBL24175604 0.78 STING1 (0.54) STING1ALDH1A1
SCHEMBL24175209 0.77 STING1 (0.54) STING1ALDH1A1
SCHEMBL24175222 0.77 STING1 (0.54) STING1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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