SCHEMBL31228306

SCHEMBL31228306

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.40
CCR5 P51681 3/20 0.35
HCRTR2 O43614 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
P2RX7 Q99572 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
STAT3 P40763 1/20 0.33
LIMK2 P53671 1/20 0.33
MMP1 P03956 3/20 0.32
MMP3 P08254 3/20 0.32
MMP7 P09237 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP2 P08253 2/20 0.32

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
SCHEMBL31228300 1.00 MMP13 (0.40) MMP13CCR5HCRTR2MEN1KMT2A
SCHEMBL31228239 0.95 MMP13 (0.39) MMP13CCR5HCRTR2MEN1KMT2A
SCHEMBL31228367 0.93 MMP13 (0.40) MMP13CCR5HCRTR2MEN1KMT2A
SCHEMBL31228678 0.92 MMP13 (0.37) MMP13CCR5HCRTR2MEN1KMT2A
SCHEMBL31228427 0.91 MMP13 (0.37) MMP13CCR5MEN1KMT2AP2RX7
SCHEMBL31228374 0.89 P2RX7 (0.42) CCR5MEN1KMT2AP2RX7
SCHEMBL31228376 0.87 MMP13 (0.38) MMP13CCR5HCRTR2MEN1KMT2A
SCHEMBL31153630 0.86 MMP13 (0.40) MMP13CCR5MEN1KMT2AP2RX7
SCHEMBL31228488 0.85 P2RX7 (0.41) HCRTR2MEN1KMT2AP2RX7
SCHEMBL31228383 0.84 MMP13 (0.39) MMP13CCR5HCRTR2MEN1KMT2A

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