SCHEMBL31228503

SCHEMBL31228503

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CTSK P43235 5/20 0.41
CTSS P25774 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PSENEN Q9NZ42 1/20 0.40
KMT2A Q03164 1/20 0.39
PREP P48147 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.38
KLK5 Q9Y337 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP2D6 P10635 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL25959724 0.86 CA12 (0.42) CA12CA14CTSKCTSSCA1
SCHEMBL22125725 0.86 KMT2A (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL30925015 0.86 KMT2A (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL19244986 0.86 KMT2A (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL29252815 0.82 CTSK (0.44) CA12CA14CTSKCTSSPSENEN
SCHEMBL29252817 0.82 CTSK (0.44) CA12CA14CTSKCTSSPSENEN
SCHEMBL22143662 0.81 KMT2A (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL22143951 0.80 CTSK (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL22143659 0.80 BTK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL247552 0.80 CTSK (0.55) CA12CA14CTSKCTSSCA1

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-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed