SCHEMBL30701970

SCHEMBL30701970

COC(CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
TAS2R14 Q9NYV8 3/20 0.43
CNR1 P21554 1/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NR1D1 P20393 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CXCR3 P49682 1/20 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
SCHEMBL1411474 1.00 CNR2 (0.50) CNR2TAS2R14CNR1RORCLMNA
SCHEMBL30701971 0.90 CNR2 (0.46) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL27192066 0.90 CNR2 (0.46) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL29407317 0.87 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL1571343 0.87 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL1571490 0.87 CNR2 (0.50) CNR2TAS2R14CNR1RORCMEN1
SCHEMBL30878014 0.84 CNR2 (0.50) CNR2TAS2R14CNR1RORCALDH1A1
SCHEMBL30609120 0.84 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL19644024 0.84 CNR2 (0.50) CNR2TAS2R14CNR1RORCALDH1A1
SCHEMBL12205672 0.84 CNR2 (0.56) CNR2TAS2R14CNR1MAPT

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
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed