SCHEMBL25516478

SCHEMBL25516478

O=C(CSc1ncccn1)c1cccc(N[SH](=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.57
▸ CA1 P00915 8/20 0.57
▸ CA2 P00918 8/20 0.57
▸ CA6 P23280 8/20 0.57
▸ CA7 P43166 8/20 0.57
▸ CA13 Q8N1Q1 8/20 0.57
▸ CA9 Q16790 4/20 0.57
▸ TSHR P16473 1/20 0.48
▸ KDR P35968 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL25516479 0.79 CA12 (0.59) CA12CA1CA2CA6CA7
SCHEMBL27358326 0.75 AKR1C3 (0.45) HPGDMEN1KMT2ARAB9A
SCHEMBL22380991 0.73 CA12 (1.00) CA12CA1CA2CA6CA7
SCHEMBL18805093 0.72 ALPG (0.65) CA12CA1CA2CA6CA7
SCHEMBL15819579 0.70 AKR1C3 (0.57) CA12CA2CA9MEN1KMT2A
SCHEMBL26741217 0.69 MEN1 (0.54) MEN1KMT2A
SCHEMBL28617692 0.69 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6201829 0.68 CA12 (0.64) CA12CA1CA2CA6CA7
SCHEMBL25516473 0.68 CDYL2 (0.63) CA12CA1CA2CA6CA7
SCHEMBL27435976 0.66 HDAC8 (0.56) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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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