SCHEMBL31228376

SCHEMBL31228376

COC(=O)[C@H]([C@H](C)C1CC1)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.38
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
GPR119 Q8TDV5 3/20 0.34
P2RX7 Q99572 2/20 0.34
HCRTR2 O43614 1/20 0.33
MMP1 P03956 3/20 0.32
MMP3 P08254 3/20 0.32
MMP7 P09237 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP2 P08253 2/20 0.32
CYP3A4 P08684 1/20 0.32
STS P08842 1/20 0.32
POLB P06746 1/20 0.32
CCR5 P51681 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL31228678 0.94 MMP13 (0.37) MMP13KMT2AMEN1GPR119P2RX7
SCHEMBL31228367 0.93 MMP13 (0.40) MMP13KMT2AMEN1GPR119P2RX7
SCHEMBL31228306 0.87 MMP13 (0.40) MMP13KMT2AMEN1GPR119P2RX7
SCHEMBL31228300 0.87 MMP13 (0.40) MMP13KMT2AMEN1GPR119P2RX7
SCHEMBL31228374 0.83 P2RX7 (0.42) KMT2AMEN1P2RX7POLBCCR5
SCHEMBL31228362 0.83 MMP3 (0.31) KMT2AHCRTR2MMP3
SCHEMBL31228189 0.83 MMP3 (0.31) KMT2AHCRTR2MMP3
SCHEMBL31228509 0.83 MMP3 (0.31) KMT2AHCRTR2MMP3
SCHEMBL31228239 0.82 MMP13 (0.39) MMP13KMT2AMEN1GPR119P2RX7
SCHEMBL31153712 0.81 MMP13 (0.37) MMP13KMT2AMEN1GPR119P2RX7

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