SCHEMBL31228488

SCHEMBL31228488

Cc1ccc(S(=O)(=O)OC[C@@H]2[C@@H](C(=O)N(C)[C@H](C(=O)OCc3ccccc3)C(C)C)CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.41
KLK7 P49862 1/20 0.38
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ACE2 Q9BYF1 2/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL31228374 0.96 P2RX7 (0.42) P2RX7L3MBTL1MEN1KMT2AMAPT
SCHEMBL31228552 0.91 P2RX7 (0.42) P2RX7L3MBTL1MEN1KMT2AMAPT
SCHEMBL31228239 0.89 MMP13 (0.39) P2RX7HCRTR2L3MBTL1MEN1KMT2A
SCHEMBL31228393 0.86 KLK7 (0.44) KLK7HCRTR2L3MBTL1MEN1KMT2A
SCHEMBL31228678 0.85 MMP13 (0.37) P2RX7HCRTR2MEN1KMT2A
SCHEMBL31228300 0.85 MMP13 (0.40) P2RX7HCRTR2MEN1KMT2A
SCHEMBL31228306 0.85 MMP13 (0.40) P2RX7HCRTR2MEN1KMT2A
SCHEMBL31228513 0.83 P2RX7 (0.44) P2RX7L3MBTL1MEN1KMT2AMAPT
SCHEMBL31228745 0.82 KLK7 (0.39) KLK7HCRTR2L3MBTL1MEN1KMT2A
SCHEMBL31228368 0.81 MAPT (0.40) KLK7L3MBTL1MEN1KMT2AMAPT

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