SCHEMBL31228678

SCHEMBL31228678

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
P2RX7 Q99572 2/20 0.34
HCRTR2 O43614 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
STS P08842 2/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
LIMK2 P53671 1/20 0.32

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
SCHEMBL31228376 0.94 MMP13 (0.38) MMP13KMT2AMEN1P2RX7HCRTR2
SCHEMBL31228306 0.92 MMP13 (0.40) MMP13KMT2AMEN1P2RX7HCRTR2
SCHEMBL31228300 0.92 MMP13 (0.40) MMP13KMT2AMEN1P2RX7HCRTR2
SCHEMBL31228374 0.89 P2RX7 (0.42) KMT2AMEN1P2RX7CCR5NPSR1
SCHEMBL31228239 0.87 MMP13 (0.39) MMP13KMT2AMEN1P2RX7HCRTR2
SCHEMBL31153712 0.87 MMP13 (0.37) MMP13KMT2AMEN1P2RX7GPR119
SCHEMBL31228367 0.86 MMP13 (0.40) MMP13KMT2AMEN1P2RX7HCRTR2
SCHEMBL31228488 0.85 P2RX7 (0.41) KMT2AMEN1P2RX7HCRTR2
SCHEMBL31228427 0.83 MMP13 (0.37) MMP13KMT2AMEN1P2RX7CCR5
SCHEMBL31228414 0.81 KMT2A (0.32) KMT2ANR1H2

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