SCHEMBL25516474

SCHEMBL25516474

O=C(Cn1cnc2ccccc21)c1ccc(Cl)c(N[SH](=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.64
▸ CA1 P00915 6/20 0.64
▸ CA2 P00918 6/20 0.64
▸ CA7 P43166 6/20 0.64
▸ CA9 Q16790 6/20 0.64
▸ CA13 Q8N1Q1 6/20 0.64
▸ CA3 P07451 3/20 0.64
▸ CA4 P22748 3/20 0.64
▸ CA6 P23280 3/20 0.64
▸ CA5A P35218 3/20 0.64
▸ CA14 Q9ULX7 3/20 0.64
▸ CA5B Q9Y2D0 3/20 0.64
▸ ALPL P05186 2/20 0.61
▸ ALPG P10696 2/20 0.61
▸ ALPI P09923 1/20 0.61
▸ PLAA Q9Y263 1/20 0.61
▸ CDYL2 Q8N8U2 1/20 0.54
▸ CDYL Q9Y232 1/20 0.54
▸ CDY1; CDY1B Q9Y6F8 1/20 0.54
▸ MGAM O43451 1/20 0.48

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
SCHEMBL25516473 0.81 CDYL2 (0.63) CA12CA1CA2CA7CA9
SCHEMBL18425991 0.78 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL25516476 0.77 CA1 (0.66) CA12CA1CA2CA7CA9
SCHEMBL22381004 0.76 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL18825270 0.75 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL6202723 0.73 RAB9A (0.70) CA12CA1CA2CA7CA9
SCHEMBL6201409 0.73 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1718552 0.72 CDYL2 (0.68) CA12CA1CA2CA7CA9
SCHEMBL5094972 0.72 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL25516479 0.70 CA12 (0.59) CA12CA1CA2CA7CA9

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-20230149403-A1 CARBONIC ANHYDRASE ENZYMES FOR REGULATING MAST CELL HEMATOPOIESIS AND TYPE 2 INFLAMMATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-05-18 — — 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-20230149403-A1 CARBONIC ANHYDRASE ENZYMES FOR REGULATING MAST CELL HEMATOPOIESIS AND TYPE 2 INFLAMMATION CA2, CMA1, CPA3 CA12 8/4885CA1 10/4885CA2 1/4885

“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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