SCHEMBL2495229

SCHEMBL2495229

CCCCCNC(=S)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
ACHE P22303 13/20 0.50
EPHX1 P07099 3/20 0.44

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
SCHEMBL28375756 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17416092 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17436874 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17415691 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17416051 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17416108 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
SCHEMBL17415823 0.98 ACHE (0.53) CA12CA1CA2CA9ACHE
Ammonia Solution, Strong SCHEMBL5822821 0.96 ACHE (0.52) CA12CA1CA2CA9ACHE
SCHEMBL11614911 0.96 ACHE (0.52) CA12CA1CA2CA9ACHE
SCHEMBL11382450 0.96 ACHE (0.52) CA12CA1CA2CA9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410303-B2 Direct conversion of phenols into amides and esters of benzoic acid The Florida State University Research Foundation, Inc. (US) 2013-04-02 US disclosed
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID The Florida State University Research Foundation, Inc. (US) 2011-09-29 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-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID DDC, NISCH, TST CA12 874/4885CA1 644/4885CA2 603/4885

“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.