SCHEMBL5480562

SCHEMBL5480562

Cc1cccc(S(N)(=O)=O)c1C1=Cc2ccccc2NC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 3/20 0.34
CA12 O43570 2/20 0.34
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CYP2C9 P11712 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL5477441 0.84 LRRK2 (0.38) BRD4CREBBPCA2CA9CA1
SCHEMBL31620126 0.82 CA1 (0.38) BRD4CREBBPCA2CA9CA1
SCHEMBL5481383 0.74 CA12 (0.31) CA2CA9CA1CA12
SCHEMBL4759798 0.68 CASP1 (0.48) CA2CA9CA1CA12CA4
Hydrochloric Acid SCHEMBL5808141 0.66 CA1 (0.51) CA2CA9CA1CA12CA4
SCHEMBL7369 0.66 CA2 (0.56) CA2CA9CA1CA12CA4
SCHEMBL29410204 0.66 CA2 (0.56) CA2CA9CA1CA12CA4
SCHEMBL16512226 0.66 CCR1 (0.44)
SCHEMBL1925949 0.65 CA2 (0.45) CA2CA9CA1CA12CA4
SCHEMBL8469274 0.65 ALOX15 (0.38) BRD4

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG BRD4 1322/4885CREBBP 2217/4885CA2 1915/4885

“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.