SCHEMBL777415

SCHEMBL777415

CC(C)S(=O)(=O)NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.51
CA12 O43570 3/20 0.51
CA7 P43166 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.47
GRIA4 P48058 2/20 0.46
GRIA2 P42262 1/20 0.45
NSD2 O96028 2/20 0.44
CYP19A1 P11511 1/20 0.44
THRB P10828 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL6562890 0.90 GRIA4 (0.51) CA9CA12CA7CA14CA2
SCHEMBL16088856 0.83 KMT2A (0.56) CA9CA12LMNAKMT2AMEN1
SCHEMBL171653 0.81 CA2 (0.61) CA9CA12CA7CA14CA2
SCHEMBL4836242 0.79 HTT (0.61) CA9CA12CA14CA2CA1
SCHEMBL2100494 0.79 KMT2A (0.59) CA9CA12CA7CA14CA2
SCHEMBL12265804 0.78 SMN1; SMN2 (0.54) LMNA
SCHEMBL7471869 0.78 GRIA4 (0.41) CA12CA7CA14CA2CA1
SCHEMBL15058790 0.77 GRIA4 (0.43) CA9CA12CA7CA14CA2
SCHEMBL13565065 0.77 KDM4E (0.44) CA9CA12CA7CA2CA1
SCHEMBL5653047 0.75 CA9 (0.54) CA9CA12CA7CA14CA2

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 5 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-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-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
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 (2 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 CA9 230/4885CA12 745/4885CA7 173/4885
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 CA9 2166/4885CA12 3751/4885CA7 2516/4885

“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.