SCHEMBL31228374

SCHEMBL31228374

Cc1ccc(S(=O)(=O)OC[C@@H]2[C@@H](C(=O)N(C)[C@H](C(=O)OCc3ccccc3)C(C)C)CCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GHSR Q92847 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CCR5 P51681 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL31228488 0.96 P2RX7 (0.41) P2RX7L3MBTL1MEN1MAPTKMT2A
SCHEMBL31228552 0.92 P2RX7 (0.42) P2RX7L3MBTL1MEN1MAPTKMT2A
SCHEMBL31228678 0.89 MMP13 (0.37) P2RX7MEN1KMT2ANPSR1CCR5
SCHEMBL31228306 0.89 MMP13 (0.40) P2RX7MEN1KMT2ACCR5
SCHEMBL31228300 0.89 MMP13 (0.40) P2RX7MEN1KMT2ACCR5
SCHEMBL31228368 0.86 MAPT (0.40) L3MBTL1MEN1MAPTKMT2AGHSR
SCHEMBL31228239 0.84 MMP13 (0.39) P2RX7L3MBTL1MEN1MAPTKMT2A
SCHEMBL31228513 0.84 P2RX7 (0.44) P2RX7L3MBTL1MEN1MAPTKMT2A
SCHEMBL31228367 0.84 MMP13 (0.40) P2RX7MEN1KMT2ACCR5
SCHEMBL31228376 0.83 MMP13 (0.38) P2RX7MEN1KMT2APOLBNPSR1

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