SCHEMBL12010925

SCHEMBL12010925

Cc1cc(NS(=O)(=O)C(C)(C)C)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.53
▸ AGO2 Q9UKV8 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 3/20 0.46
▸ USP2 O75604 1/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL18195172 0.80 ALDH1A1 (0.41) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL16302668 0.79 PDE4A (0.57) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL26220814 0.79 PDE4A (0.35) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL1377855 0.72 PDE4A (0.54) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL1381858 0.71 PDE4A (0.73) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL12883359 0.71 POLB (0.43) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL1828300 0.69 PDE4A (0.74) PDE4AAGO2ALDH1A1KDM4ELMNA
SCHEMBL11757838 0.69 PDE4A (0.69) PDE4AAGO2ALDH1A1KDM4ELMNA
Sulfisomidine SCHEMBL34791 0.69 PDE4A (1.00) PDE4AAGO2ALDH1A1KDM4ELMNA
Sulfisomidine SCHEMBL284793 0.68 PDE4A (0.97) PDE4AAGO2ALDH1A1KDM4ELMNA

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-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — 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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA PDE4A 887/4885AGO2 3308/4885ALDH1A1 3892/4885

“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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