SCHEMBL30789138

SCHEMBL30789138

NS(=O)(=O)c1cccc2ccc(=O)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.58
▸ CA12 O43570 9/20 0.58
▸ CA1 P00915 9/20 0.47
▸ CA2 P00918 8/20 0.47
▸ MAPK1 P28482 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CA4 P22748 3/20 0.41
▸ CA6 P23280 3/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ AKR1B1 P15121 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL3222036 0.82 CA9 (0.58) CA9CA12CA1CA2MAPK1
Sulfuric Acid SCHEMBL9438660 0.75 CA12 (0.53) CA9CA12CA1CA2CA4
SCHEMBL1018276 0.74 AR (0.53) CA9CA12CA1CA2MAPK1
SCHEMBL30136554 0.74 AR (0.53) CA9CA12CA1CA2MAPK1
SCHEMBL29385308 0.73 CA12 (0.60) CA9CA12CA1MAPK1CA4
SCHEMBL3224071 0.73 CA12 (0.60) CA9CA12CA1CA4CA6
SCHEMBL470073 0.73 CA12 (0.60) CA9CA12CA1MAPK1CA4
SCHEMBL731556 0.73 CA12 (1.00) CA9CA12CA1CA4CA6
SCHEMBL29186655 0.72 CA12 (0.58) CA9CA12CA1MAPK1CA4
SCHEMBL3792963 0.72 CA12 (0.58) CA9CA12CA1CA4CA6

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-20240059658-A1 QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER UNIV EMORY (US) 2024-02-22 — — 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-20240059658-A1 QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER MDM2, TP53, RECQL CA9 3317/4885CA12 3190/4885CA1 4342/4885

“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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