SCHEMBL1974678

SCHEMBL1974678

C[C@@]1(c2ccc(Cl)cc2)C[C@]12C(=O)N(c1cc(C(=O)O)cc(N3CCOC3=O)c1)c1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.65
PRKAA1 Q13131 2/20 0.65
PRKAB1 Q9Y478 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HSD11B1 P28845 2/20 0.35
SCN9A Q15858 3/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
CMA1 P23946 2/20 0.31
IP6K1 Q92551 1/20 0.31
LMNA P02545 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
SCHEMBL1972349 1.00 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1972351 1.00 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1973985 0.88 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1974056 0.88 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL1973983 0.88 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL16477284 0.88 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1SMN1; SMN2TP53
SCHEMBL16457730 0.87 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1ITGB2ICAM1
SCHEMBL12580514 0.80 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1
SCHEMBL12580518 0.80 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1
SCHEMBL1971889 0.80 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US claimed
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-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US 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
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PRKAG1 2038/4885PRKAA1 1509/4885PRKAB1 1537/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PRKAG1 2091/4885PRKAA1 1553/4885PRKAB1 1577/4885

“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.