SCHEMBL1968170

SCHEMBL1968170

Cc1c(C(=O)O)cc(N2CCOC2=O)cc1N1C(=O)[C@]2(CC2(C)C)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
AKR1B1 P15121 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.32

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
SCHEMBL1966197 0.88 PRKAG1 (0.45) CMA1PRKAG1PRKAA1PRKAB1
SCHEMBL1969171 0.85 PRKAG1 (0.51) CMA1PRKAG1PRKAA1PRKAB1PIK3CD
SCHEMBL1978637 0.85 PRKAG1 (0.51) CMA1PRKAG1PRKAA1PRKAB1PIK3CD
SCHEMBL1976873 0.85 PRKAG1 (0.51) CMA1PRKAG1PRKAA1PRKAB1PIK3CD
SCHEMBL1974578 0.84 PRKAG1 (0.39) CMA1PRKAG1PRKAA1PRKAB1
SCHEMBL1968168 0.79 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1PTGDR2AKR1B1
SCHEMBL12555283 0.79 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1PTGDR2AKR1B1
SCHEMBL12555140 0.79 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1PTGDR2AKR1B1
SCHEMBL16457730 0.72 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1
SCHEMBL16458403 0.71 PRKAG1 (0.40) CMA1PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CMA1 782/4885PRKAG1 2038/4885PRKAA1 1509/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CMA1 778/4885PRKAG1 2091/4885PRKAA1 1553/4885

“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.