SCHEMBL14010037

SCHEMBL14010037

COCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(SOOO)c(N)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.43
▸ CA12 O43570 15/20 0.43
▸ CA1 P00915 15/20 0.43
▸ CA2 P00918 15/20 0.43
▸ CA14 Q9ULX7 7/20 0.43
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14159580 0.83 CA9 (0.39) CA9CA12CA1CA2CA14
SCHEMBL14021962 0.80 NFKB1 (0.40) CA9CA12CA1CA2CA14
SCHEMBL14004223 0.78 CA9 (0.41) CA9CA12CA1CA2CA14
SCHEMBL14004228 0.77 CHAT (0.40) CA9CA12CA1CA2CA14
SCHEMBL14079899 0.76 CARM1 (0.38) CA9CA12CA1CA2CA14
SCHEMBL14021965 0.75 MAPT (0.35) CA9CA12CA1CA2CA14
SCHEMBL13998604 0.75 ENPP2 (0.35) CA9CA12CA1CA2CA14
SCHEMBL12052474 0.75 CA12 (0.41) CA9CA12CA1CA2CA14
SCHEMBL14079923 0.74 CA9 (0.47) CA9CA12CA1CA2CA14
SCHEMBL21239133 0.74 CHAT (0.45) CA9CA12CA1CA2CA14

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-20080289123-A1 Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2008-11-27 — — 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-20080289123-A1 Reactive Dyes, Their Preparation and Their Use IK, CUTA, CD68 CA9 370/4885CA12 2083/4885CA1 3942/4885

“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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