SCHEMBL29909642

SCHEMBL29909642

CC(C)(C)[S@@+]([O-])N1[C@H](c2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.38
▸ CFTR P13569 3/20 0.37
▸ ELANE P08246 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ PGGT1B P53609 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ ABCB1 P08183 1/20 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
SCHEMBL23298020 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL29543281 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL25924960 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL23298060 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL23342642 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL23298019 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL23298057 1.00 RIPK1 (0.38) RIPK1CFTRELANEMEN1KMT2A
Lithium Ion SCHEMBL31678048 0.88 RIPK1 (0.37) RIPK1CFTRELANEMEN1KMT2A
Lithium Ion SCHEMBL30997317 0.88 RIPK1 (0.37) RIPK1CFTRELANEMEN1KMT2A
SCHEMBL23298034 0.84 L3MBTL1 (0.42) MEN1KMT2APOLBEDNRA

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-4334324-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022235866-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-11-10 — — WO disclosed
EP-4054720-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2022-09-14 — — EP disclosed
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