SCHEMBL31228352

SCHEMBL31228352

CCOC(=O)[C@H]([C@H]1CCOC1)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 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.38
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR5 P51681 3/20 0.32
BMP1 P13497 1/20 0.32
STAT3 P40763 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR2 O43614 1/20 0.31
P2RX7 Q99572 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31

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
SCHEMBL31228383 0.92 MMP13 (0.39) MMP13ALDH1A1MAPK1CCR5BMP1
SCHEMBL31228519 0.84 ALDH1A1 (0.31) ALDH1A1NPSR1MEN1RAB9AKMT2A
SCHEMBL31228505 0.83 KLK7 (0.36) MMP13L3MBTL1CCR5MEN1RAB9A
SCHEMBL31228376 0.80 MMP13 (0.38) MMP13NPSR1CCR5MEN1KMT2A
SCHEMBL31228678 0.80 MMP13 (0.37) MMP13NPSR1CCR5MEN1RAB9A
SCHEMBL31228300 0.80 MMP13 (0.40) MMP13CCR5STAT3MEN1KMT2A
SCHEMBL31228306 0.80 MMP13 (0.40) MMP13CCR5STAT3MEN1KMT2A
SCHEMBL31228367 0.79 MMP13 (0.40) MMP13CCR5STAT3MEN1KMT2A
SCHEMBL31228374 0.76 P2RX7 (0.42) ALDH1A1MAPK1NPSR1L3MBTL1CCR5
SCHEMBL31228239 0.75 MMP13 (0.39) MMP13NPSR1L3MBTL1CCR5MEN1

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