SCHEMBL30916043

SCHEMBL30916043

CC(F)(F)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 7/20 0.47
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL26911150 1.00 CTSK (0.47) CTSKCTSSPPARAPPARGMEN1
SCHEMBL26911147 1.00 CTSK (0.47) CTSKCTSSPPARAPPARGMEN1
SCHEMBL15239813 0.92 CTSK (0.48) CTSKCTSSPPARAPPARGMEN1
SCHEMBL30916094 0.92 CTSK (0.48) CTSKCTSSPPARAPPARGMEN1
SCHEMBL14533577 0.92 CTSK (0.48) CTSKCTSSPPARAPPARGMEN1
SCHEMBL27041613 0.90 CTSK (0.47) CTSKCTSSPPARAPPARGMEN1
SCHEMBL27041611 0.90 CTSK (0.47) CTSKCTSSPPARAPPARGMEN1
SCHEMBL26822676 0.88 CTSK (0.50) CTSKCTSSPPARAPPARGMEN1
SCHEMBL31407478 0.88 CTSK (0.50) CTSKCTSSPPARAPPARGMEN1
SCHEMBL2703149 0.88 CTSK (0.50) CTSKCTSSPPARAPPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
WO-2025043094-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2025-02-27 WO disclosed
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 WO disclosed