SCHEMBL25516476

SCHEMBL25516476

O=C(Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc(Cl)c(N[SH](=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.66
▸ CA2 P00918 10/20 0.66
▸ CA7 P43166 10/20 0.66
▸ CA13 Q8N1Q1 10/20 0.66
▸ CA12 O43570 3/20 0.66
▸ CA9 Q16790 3/20 0.66
▸ CA3 P07451 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA6 P23280 2/20 0.51
▸ CA5A P35218 2/20 0.51
▸ CA14 Q9ULX7 2/20 0.51
▸ CA5B Q9Y2D0 2/20 0.51
▸ LMNA P02545 2/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ ALDH1A1 P00352 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
SCHEMBL18424955 0.80 CA1 (1.00) CA1CA2CA7CA13CA12
SCHEMBL25516474 0.77 CA12 (0.64) CA1CA2CA7CA13CA12
SCHEMBL15643258 0.72 APEX1 (0.71) CA1CA2CA7CA13CA12
SCHEMBL15643251 0.72 MEN1 (0.72) CA1CA2CA7CA13CA12
SCHEMBL15643289 0.71 PTGDR2 (0.67) CA1CA2CA7CA13CA12
SCHEMBL27894202 0.70 LMNA (0.64) CA1CA2CA7CA13CA12
SCHEMBL15643536 0.70 MAPT (0.65) LMNADRD2TBXA2RALDH1A1MAPT
SCHEMBL15685947 0.69 NPSR1 (0.69) LMNAALDH1A1MAPTHTT
SCHEMBL15643214 0.68 DRD2 (0.55) CA1CA2CA7CA13CA12
SCHEMBL18423867 0.68 CA1 (1.00) CA1CA2CA7CA13CA12

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 CA1 10/4885CA2 1/4885CA7 6/4885

“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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