SCHEMBL25843190

SCHEMBL25843190

Cc1c(Br)cc(F)cc1[C@@H](N)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
AAK1 Q2M2I8 11/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL25843251 0.88 TRPA1 (0.39) TRPA1AAK1CTSSCTSKCA1
SCHEMBL29945748 0.86 TRPA1 (0.41) TRPA1AAK1CTSSCTSKCA1
SCHEMBL28880364 0.86 TRPA1 (0.41) TRPA1AAK1CTSSCTSKCA1
SCHEMBL26464327 0.86 TRPA1 (0.41) TRPA1AAK1CTSSCTSKCA1
SCHEMBL23564025 0.81 TRPA1 (0.48) TRPA1AAK1CTSSCTSK
SCHEMBL30493109 0.76 TRPA1 (0.42) TRPA1AAK1CTSSCTSKCA1
SCHEMBL23564089 0.75 TRPA1 (0.49) TRPA1AAK1CTSSCTSK
SCHEMBL1345706 0.71 GPR139 (0.43) TRPA1AAK1CTSSCTSK
SCHEMBL1345707 0.71 GPR139 (0.43) TRPA1AAK1CTSSCTSK
SCHEMBL24800879 0.71 TRPA1 (0.42) TRPA1AAK1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US 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 (1 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-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST TRPA1 4624/4885AAK1 1653/4885CTSS 1761/4885

“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.