SCHEMBL4013382

SCHEMBL4013382

CC(=Cc1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.46
AURKB Q96GD4 10/20 0.46
ITK Q08881 2/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4013381 1.00 AURKA (0.46) AURKAAURKBITKMAPTBRD4
SCHEMBL1461080 0.85 AURKA (0.52) AURKAAURKBITKMAPTBRD4
SCHEMBL1461078 0.85 AURKA (0.52) AURKAAURKBITKMAPTBRD4
Hydrochloric Acid SCHEMBL4152154 0.84 AURKA (0.51) AURKAAURKBITKMAPTBRD4
SCHEMBL1460658 0.82 AURKA (0.67) AURKAAURKBITKBRD4
SCHEMBL1460655 0.82 AURKA (0.67) AURKAAURKBITKBRD4
SCHEMBL4013378 0.81 AURKA (0.48) AURKAAURKBITKMAPTBRD4
SCHEMBL6554384 0.81 HAO1 (0.56) AURKAAURKBITKBRD4
SCHEMBL4005787 0.80 ITK (0.46) AURKAAURKBITKBRD4MEN1
SCHEMBL4013164 0.80 ITK (0.46) AURKAAURKBITKMAPTBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 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-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 AURKA 65/4885AURKB 67/4885ITK 266/4885

“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.