SCHEMBL31443571

SCHEMBL31443571

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CC(F)(F)C[C@H]2c2ccccc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.33
FFAR2 O15552 4/20 0.33
CCR1 P32246 2/20 0.33
P2RX7 Q99572 2/20 0.31
CASP1 P29466 1/20 0.31
CASP4 P49662 1/20 0.31
CASP5 P51878 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP8 Q14790 1/20 0.31
CASP10 Q92851 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
RIPK1 Q13546 3/20 0.31
CHRM2 P08172 2/20 0.31
CASP3 P42574 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
SCHEMBL31443494 1.00 PDE5A (0.33) PDE5AFFAR2CCR1P2RX7CASP1
SCHEMBL31443600 0.91 CCR1 (0.37) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443683 0.91 CCR1 (0.37) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443544 0.91 PDE5A (0.33) PDE5AFFAR2CCR1P2RX7CASP1
SCHEMBL31443810 0.91 PDE5A (0.33) PDE5AFFAR2CCR1P2RX7CASP1
SCHEMBL31443633 0.84 CASP1 (0.39) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443624 0.84 CASP1 (0.39) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443576 0.83 CASP1 (0.37) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443490 0.83 CASP1 (0.37) PDE5AFFAR2CCR1CASP1CASP4
SCHEMBL31443453 0.82 CASP1 (0.37) PDE5AFFAR2CCR1CASP1CASP4

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
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO claimed
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed