SCHEMBL25197895

SCHEMBL25197895

CC(C)(C)[S@@+]([O-])N=Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
GAA P10253 1/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NFE2L2 Q16236 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL22713540 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1888233 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30360130 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1229972 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1888234 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25197894 1.00 TRPA1 (0.40) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22158952 0.91 SCN4A (0.43) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22158956 0.91 SCN4A (0.43) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22158954 0.91 SCN4A (0.43) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24017054 0.83 SMN1; SMN2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154173-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-15 US disclosed
WO-2025096697-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-08 WO disclosed
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof MERCK SHARP & DOHME LLC (US) 2024-12-31 US disclosed
EP-4423096-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF Merck Sharp & Dohme LLC (US) 2024-09-04 EP disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof RIPK1, RIPK3, RIPK4 TRPA1 3882/4885GRIN2D 4075/4885GRIN3B 3026/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 TRPA1 3882/4885GRIN2D 4075/4885GRIN3B 3026/4885
US-20250154173-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 TRPA1 4741/4885GRIN2D 3731/4885GRIN3B 2000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.