SCHEMBL30570520

SCHEMBL30570520

CC(C)(C)OC(=O)NC(c1ccc(C#N)cc1C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.40
▸ CTSS P25774 9/20 0.39
▸ CTSK P43235 8/20 0.39
▸ CTSB P07858 3/20 0.38
▸ CTSL P07711 1/20 0.38
▸ SLC22A12 Q96S37 4/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL17477724 1.00 TRPV4 (0.40) TRPV4CTSSCTSKCTSBCTSL
SCHEMBL25390806 0.87 TRPV4 (0.42) TRPV4SLC22A12
SCHEMBL15932451 0.86 CTSS (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL30570497 0.86 CTSS (0.42) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17474200 0.86 CTSS (0.42) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17476298 0.84 KMT2A (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17474203 0.84 CTSS (0.41) CTSSCTSKCTSBCTSLABCB1
SCHEMBL10216722 0.84 LMNA (0.44) CTSSCTSKCTSBCTSLABCB1
SCHEMBL26227418 0.80 CTSS (0.43) CTSSCTSKCTSBCTSLAAK1
SCHEMBL17479521 0.80 CTSS (0.38) CTSSCTSKCTSBCTSLABCB1

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-3604308-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2023-09-13 — — EP disclosed
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