SCHEMBL5477441

SCHEMBL5477441

Cc1c(C2=Cc3ccccc3NC2)cccc1S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
STAT3 P40763 2/20 0.35
CA2 P00918 7/20 0.34
CA1 P00915 6/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CYP2C9 P11712 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL31620126 0.88 CA1 (0.38) STAT3CA2CA1BRD4CREBBP
SCHEMBL5480562 0.84 BRD4 (0.35) STAT3CA2CA1BRD4CREBBP
SCHEMBL5481383 0.80 CA12 (0.31) CA2CA1CA9CA12
SCHEMBL7965853 0.71 IDO1 (0.37) CDK1CCNB1
SCHEMBL17979580 0.69 LRRK2 (0.46) LRRK2
SCHEMBL31620125 0.69 BCAT2 (0.44) BRD4
SCHEMBL2896796 0.68 LRRK2 (0.51) LRRK2STAT3CA2CA1CA9
SCHEMBL4435159 0.68 CA2 (0.51) LRRK2STAT3CA2CA1CA9
Hydrochloric Acid SCHEMBL5808145 0.67 CA2 (0.50) LRRK2STAT3CA2CA1CA9
SCHEMBL3823918 0.67 LRRK2 (0.44) LRRK2STAT3CA2CA1CA9

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 LRRK2 4253/4885STAT3 4854/4885CA2 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.