SCHEMBL25516479

SCHEMBL25516479

O=C(CSc1ncccn1)c1ccc(Cl)c(N[SH](=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 10/20 0.59
▸ CA1 P00915 10/20 0.59
▸ CA2 P00918 10/20 0.59
▸ CA6 P23280 10/20 0.59
▸ CA7 P43166 10/20 0.59
▸ CA13 Q8N1Q1 10/20 0.59
▸ CA9 Q16790 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL25516478 0.79 CA12 (0.57) CA12CA1CA2CA6CA7
SCHEMBL18424975 0.74 CA1 (1.00) CA12CA1CA2CA6CA7
SCHEMBL18805093 0.72 ALPG (0.65) CA12CA1CA2CA6CA7
SCHEMBL22380996 0.72 CA1 (1.00) CA12CA1CA2CA6CA7
SCHEMBL27286217 0.71 ALDH1A1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL27296313 0.71 MAPT (0.46) NPC1RAB9AALDH1A1PKMKMT2A
SCHEMBL25516474 0.70 CA12 (0.64) CA12CA1CA2CA6CA7
SCHEMBL28623470 0.70 ALDH1A1 (0.49) ALDH1A1KMT2AMAPT
SCHEMBL6201829 0.68 CA12 (0.64) CA12CA1CA2CA6CA7
SCHEMBL22380991 0.65 CA12 (1.00) CA12CA1CA2CA6CA7

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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