Sugi Predict

Sugi Predict / Compounds / SCHEMBL777551

SCHEMBL777551

SCHEMBL777551

CC(C)CNS(=O)(=O)C(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PDK3 Q15120 2/20 0.33
▸ PDK4 Q16654 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GRIA4 P48058 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ EPHX1 P07099 1/20 0.31
▸ ADH1B P00325 1/20 0.31
▸ ADH1C P00326 1/20 0.31
▸ ADH1A P07327 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL777267 0.84 EPHX1 (0.45) CA12CA7CA9CA14ALDH1A1
SCHEMBL13849291 0.81 CA12 (0.37) CA12CA7CA9CA14ALDH1A1
SCHEMBL12884415 0.81 GRIA4 (0.31) GRIA4CA1CA2
SCHEMBL20711239 0.74 CA12 (0.40) CA12CA7CA9CA14ALDH1A1
SCHEMBL25008100 0.73 EPHX1 (0.39) CA7ALDH1A1CA1CA2EPHX1
SCHEMBL20045038 0.73 EPHX1 (0.34) CA7CA1CA2EPHX1
SCHEMBL3779377 0.72 ATM (0.44) CA12CA7CA9CA14ALDH1A1
SCHEMBL5352882 0.70 — —
SCHEMBL11223218 0.70 — —
SCHEMBL14011294 0.70 CA12 (0.36) CA12CA7CA9CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 — — US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — 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 (3 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CA12 745/4885CA7 173/4885CA9 230/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CA12 3751/4885CA7 2516/4885CA9 2166/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CA12 2651/4885CA7 759/4885CA9 924/4885

“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.