SCHEMBL1444175

SCHEMBL1444175

COC(=O)c1cccc(CN2C(=O)/C(=C(/c3ccc(C(F)(F)F)cc3)C(C)C)c3cc(Cl)ccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 8/20 0.67
PRKAB1 Q9Y478 8/20 0.67
PRKAA1 Q13131 2/20 0.67
PRKAA2 P54646 6/20 0.60
TP53 P04637 3/20 0.49
TRPA1 O75762 1/20 0.45
MAPT P10636 4/20 0.45
THRB P10828 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 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
SCHEMBL1444589 0.91 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444551 0.90 PRKAG1 (0.82) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444448 0.85 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444447 0.85 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444598 0.82 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444318 0.81 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444701 0.80 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1465821 0.80 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444550 0.80 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA1PRKAA2TP53
SCHEMBL1444475 0.79 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA1PRKAA2TP53

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-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 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 (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-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA1 8/4885
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA1 10/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA1 8/4885

“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.