SCHEMBL31228613

SCHEMBL31228613

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(c2nccs2)[C@@H]1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
POLB P06746 3/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 2/20 0.31
SCN1A P35498 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL31228299 0.92 TSHR (0.35) TSHRPOLBMMP2MMP9MMP8
SCHEMBL31228598 0.85 HTT (0.36) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL31228458 0.82 GRIN2B (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31228678 0.78 MMP13 (0.37) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL31228376 0.72 MMP13 (0.38) POLBMMP2MMP9MMP8MMP13
SCHEMBL31228300 0.70 MMP13 (0.40) MMP2MMP9MMP8MMP13MEN1
SCHEMBL31228306 0.70 MMP13 (0.40) MMP2MMP9MMP8MMP13MEN1
SCHEMBL31153712 0.69 MMP13 (0.37) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL31228374 0.69 P2RX7 (0.42) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL31228607 0.62 ATM (0.31) POLBRAB9AMEN1KMT2A

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