SCHEMBL25575808

SCHEMBL25575808

CCCC1CC(C2CCC2)C(C)C1SC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 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
SCHEMBL19434115 0.69 CA1 (0.46) CA1CA2CA4
SCHEMBL2434740 0.68 — —
SCHEMBL5547886 0.67 CA1 (0.50) CA1CA2CA4
SCHEMBL20412506 0.66 NOS1 (0.33) CA1CA2CA4
SCHEMBL7989298 0.64 — —
SCHEMBL9637783 0.63 CA1 (0.45) CA1CA2CA4
SCHEMBL24064957 0.63 ALDH1A1 (0.32) —
SCHEMBL17063633 0.62 CA1 (0.59) CA1CA2CA4
SCHEMBL11904003 0.61 CA1 (0.46) CA1CA2CA4
SCHEMBL24798983 0.60 CA1 (0.33) CA1CA2CA4

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-20230172961-A1 THERAPEUTICS FOR COVID-19 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-06-08 — — 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-20230172961-A1 THERAPEUTICS FOR COVID-19 ACE, ACE2, PNP CA1 4885/4885CA2 4566/4885CA4 3280/4885

“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.

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