SCHEMBL1966016

SCHEMBL1966016

Cc1cccc(C(=O)O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.61
TAS2R14 Q9NYV8 3/20 0.52
FABP4 P15090 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHODH Q02127 2/20 0.44
PARP1 P09874 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
KMO O15229 2/20 0.43
HNF4A P41235 1/20 0.42
GPBAR1 Q8TDU6 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
SCHEMBL6173681 0.88 PARP1 (0.52) MYCTAS2R14ALDH1A1HPGDLMNA
SCHEMBL3824168 0.85 FABP4 (0.48) MYCTAS2R14FABP4ALDH1A1HPGD
SCHEMBL11230568 0.84 ALDH1A1 (0.54) TAS2R14FABP4ALDH1A1HPGDL3MBTL1
SCHEMBL3271723 0.82 MYC (0.76) MYCFABP4ALDH1A1HPGDL3MBTL1
SCHEMBL1966015 0.81 TAS2R14 (0.58) MYCTAS2R14FABP4ALDH1A1HPGD
SCHEMBL6681669 0.81 MAOB (0.49) TAS2R14FABP4ALDH1A1HPGDLMNA
SCHEMBL28566405 0.79 MYC (0.82) MYCFABP4ALDH1A1HPGDL3MBTL1
SCHEMBL344491 0.79 ALDH1A1 (0.56) MYCTAS2R14FABP4ALDH1A1HPGD
SCHEMBL1358529 0.78 ALDH1A1 (0.49) MYCTAS2R14FABP4ALDH1A1HPGD
SCHEMBL28636304 0.78 ALDH1A1 (0.51) MYCTAS2R14FABP4ALDH1A1HPGD

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
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
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS 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 MYC 2964/4885TAS2R14 2740/4885FABP4 40/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 MYC 2990/4885TAS2R14 2786/4885FABP4 43/4885

“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.