SCHEMBL783403

SCHEMBL783403

CCCS(=O)(=O)Nc1cncc(-c2ccc3oc(=O)n(C)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.44
CYP11B2 P19099 3/20 0.41
KCNJ1 P48048 3/20 0.41
GPR55 Q9Y2T6 2/20 0.41
PGR P06401 1/20 0.38
BRD4 O60885 1/20 0.38
PLK4 O00444 1/20 0.37
DCLK1 O15075 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
ROS1 P08922 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 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
SCHEMBL782548 0.93 CYP11B2 (0.48) CYP11B2KCNJ1GPR55BRD4PKM
SCHEMBL805366 0.86 CYP11B2 (0.49) CYP11B2KCNJ1GPR55PGRPKM
SCHEMBL782798 0.83 CYP11B2 (0.43) PTPN5CYP11B2BRD4
SCHEMBL805385 0.83 GPR55 (0.46) CYP11B2KCNJ1GPR55PGRJAK3
SCHEMBL782733 0.81 BRPF1 (0.42) CYP11B2KCNJ1GPR55KDRPKM
SCHEMBL10233229 0.81 PDE10A (0.43) CYP11B2ROCK2ROCK1SMN1; SMN2
SCHEMBL783483 0.78 KCNJ1 (0.53) CYP11B2KCNJ1GPR55PKMSMN1; SMN2
SCHEMBL782715 0.75 CYP11B2 (0.53) CYP11B2GPR55PKMSMN1; SMN2LMNA
SCHEMBL782295 0.75 CYP11B2 (0.43) CYP11B2PGRBRD4PKMSMN1; SMN2
SCHEMBL801469 0.74 GPR55 (0.54) CYP11B2KCNJ1GPR55

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
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS 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 (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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 PTPN5 1992/4885CYP11B2 1/4885KCNJ1 630/4885

“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.