SCHEMBL1966015

SCHEMBL1966015

Cc1c(C(=O)O)cccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.58
PTGER1 P34995 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
DHODH Q02127 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MYC P01106 1/20 0.47
FABP4 P15090 1/20 0.47
HSD11B1 P28845 3/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KMO O15229 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6173688 0.86 PARP1 (0.53) TAS2R14ALDH1A1HPGDHSD11B1AKR1C3
SCHEMBL697951 0.84 TAS2R14 (0.67) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL344491 0.84 ALDH1A1 (0.56) TAS2R14ALDH1A1HPGDMYCFABP4
SCHEMBL28636304 0.83 ALDH1A1 (0.51) TAS2R14ALDH1A1HPGDMYCFABP4
Hydrochloric Acid SCHEMBL15352107 0.83 TAS2R14 (0.65) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL5046158 0.82 MYC (0.59) PTGER1ALDH1A1HPGDMYCAKR1C3
SCHEMBL544646 0.82 ALDH1A1 (0.50) TAS2R14ALDH1A1HPGDMYCFABP4
SCHEMBL28160264 0.82 ALDH1A1 (0.50) TAS2R14ALDH1A1HPGDFABP4AKR1C3
SCHEMBL27983256 0.82 TAS2R14 (0.47) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL1966016 0.81 MYC (0.61) TAS2R14ALDH1A1HPGDDHODHHDAC6

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
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES 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

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 TAS2R14 2740/4885PTGER1 577/4885ALDH1A1 237/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 TAS2R14 2786/4885PTGER1 570/4885ALDH1A1 233/4885

“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.