SCHEMBL7939963

SCHEMBL7939963

CCS(=O)(=O)N(c1cncc(-c2cc3ccc(Cl)cc3n2C)c1)S(=O)(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.44
AOC3 Q16853 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP19A1 P11511 1/20 0.36
ACLY P53396 6/20 0.34
SLC6A2 P23975 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
MAT2A P31153 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KMO O15229 1/20 0.32
CYP3A4 P08684 1/20 0.31
PTGS2 P35354 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL19417513 0.87 CYP11B2 (0.41) CYP11B2AOC3CYP11B1CYP19A1ACLY
SCHEMBL1608355 0.85 KMT2A (0.47) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7950505 0.79 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1
SCHEMBL7950246 0.78 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1MAT2AKMO
SCHEMBL1606150 0.77 CYP11B2 (0.41) CYP11B2AOC3CYP11B1CYP19A1ACLY
SCHEMBL7940271 0.77 CYP11B2 (0.47) CYP11B2CYP11B1CYP19A1MAT2AMAOA
SCHEMBL30386058 0.76 CYP11B2 (0.74) CYP11B2AOC3CYP11B1CYP19A1
SCHEMBL1607050 0.76 CYP11B2 (0.74) CYP11B2AOC3CYP11B1CYP19A1
SCHEMBL1606105 0.76 CYP11B2 (0.47) CYP11B2AOC3CYP11B1CYP19A1ACLY
SCHEMBL1606182 0.76 AOC3 (0.41) CYP11B2AOC3CYP11B1CYP19A1CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885AOC3 52/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885AOC3 52/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885AOC3 60/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885AOC3 60/4885CYP11B1 15/4885

“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.