SCHEMBL31228299

SCHEMBL31228299

Cc1ccc(S(=O)(=O)OC[C@@H]2[C@@H](C(=O)N(C)[C@H](C(=O)O)C(C)C)CCN2c2nccs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
STAT3 P40763 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
SCN1A P35498 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL31228613 0.92 TSHR (0.36) TSHRMAPTALDH1A1POLBMEN1
SCHEMBL31228306 0.78 MMP13 (0.40) MEN1KMT2ASTAT3MMP2MMP9
SCHEMBL31228300 0.78 MMP13 (0.40) MEN1KMT2ASTAT3MMP2MMP9
SCHEMBL31228598 0.76 HTT (0.36) MAPTALDH1A1HRH3MEN1KMT2A
SCHEMBL31228458 0.75 GRIN2B (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31228239 0.75 MMP13 (0.39) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL31228427 0.72 MMP13 (0.37) MEN1KMT2AMMP13
SCHEMBL31228367 0.71 MMP13 (0.40) MEN1KMT2ASTAT3MMP2MMP9
SCHEMBL31228678 0.70 MMP13 (0.37) MEN1KMT2ALMNANPSR1MMP2
SCHEMBL31228389 0.68 MMP13 (0.40) MEN1KMT2ASTAT3MMP2MMP9

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