SCHEMBL29345699

SCHEMBL29345699

CCOS(=O)(=O)/C(=C/C=C(C)C)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL23517089 0.70
SCHEMBL28600216 0.65 CA1 (0.34) CA1CA2
SCHEMBL28251173 0.64 CA1 (0.42) CA1CA2
SCHEMBL22363165 0.61 CA1 (0.43) CA1CA2
SCHEMBL27677583 0.61
SCHEMBL6570274 0.60 TSHR (0.37) CA1CA2
SCHEMBL562262 0.60 CA1 (0.37) CA1CA2
Methanesulfonic Acid Ethyl Ester SCHEMBL2296 0.59
Methanesulfonic Acid Ethyl Ester SCHEMBL5533648 0.59 CA1 (0.53) CA1CA2
SCHEMBL15521931 0.58 CA1 (0.36) CA1CA2

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CA1 3338/4885CA2 2103/4885

“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.