SCHEMBL31228552

SCHEMBL31228552

Cc1ccc(S(=O)(=O)OC[C@@H]2[C@@H](C(=O)N(C)[C@H](C(=O)OCc3ccccc3)C(C)C)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.42
MCL1 Q07820 3/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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 0.92 P2RX7 (0.42) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL31228488 0.91 P2RX7 (0.41) P2RX7MEN1MAPTKMT2AL3MBTL1
SCHEMBL31228427 0.89 MMP13 (0.37) P2RX7MCL1NR1H2NR1H3MEN1
SCHEMBL31228513 0.87 P2RX7 (0.44) P2RX7CA1CA2MEN1MAPT
SCHEMBL31228420 0.85 TACR1 (0.42) NR1H2NR1H3MEN1MAPTKMT2A
SCHEMBL31228678 0.81 MMP13 (0.37) P2RX7NR1H2NR1H3MEN1KMT2A
SCHEMBL31228300 0.81 MMP13 (0.40) P2RX7MEN1KMT2A
SCHEMBL31228306 0.81 MMP13 (0.40) P2RX7MEN1KMT2A
SCHEMBL31228440 0.80 AGTR2 (0.40) MEN1MAPTKMT2AL3MBTL1
SCHEMBL31228239 0.79 MMP13 (0.39) P2RX7MEN1MAPTKMT2AL3MBTL1

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