SCHEMBL7560587

SCHEMBL7560587

CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.71
AR P10275 4/20 0.68
ALDH1A1 P00352 2/20 0.61
HSD17B3 P37058 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
SRC P12931 1/20 0.61
HPGD P15428 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TLR9 Q9NR96 1/20 0.61
SLC18A1 P54219 1/20 0.55
SLC18A2 Q05940 1/20 0.55
MCL1 Q07820 1/20 0.53
CA9 Q16790 2/20 0.52

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
SCHEMBL20870226 0.87 MAP2K1 (0.69) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL24876966 0.84 MAP2K1 (0.70) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL29456888 0.84 AR (0.76) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL145055 0.84 AR (0.76) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL3043823 0.83 MAP2K1 (1.00) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL31331937 0.81 AR (0.64) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL15031015 0.81 CYP1A2 (0.53) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL31331892 0.80 AR (0.62) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL27509862 0.80 MAP2K1 (0.64) MAP2K1ARALDH1A1HSD17B3KDM4E
SCHEMBL14176755 0.80 MAP2K1 (0.75) MAP2K1ARALDH1A1HSD17B3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019068538-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-04-11 WO disclosed
US-9221759-B2 Fluorophore chelated lanthanide luminescent probes with improved quantum efficiency RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-12-29 US disclosed
US-9221759-B2 Fluorophore chelated lanthanide luminescent probes with improved quantum efficiency RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-12-29 US disclosed
US-9012166-B2 Method for assaying histone methylation enzyme activity KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2015-04-21 US disclosed
US-20130202536-A1 FLUOROPHORE CHELATED LANTHANIDE LUMINESCENT PROBES WITH IMPROVED QUANTUM EFFICIENCY NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-20130202536-A1 FLUOROPHORE CHELATED LANTHANIDE LUMINESCENT PROBES WITH IMPROVED QUANTUM EFFICIENCY NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-20130029878-A1 Method for Assaying Histone Methylation Enzyme Activity KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2013-01-31 US disclosed
EP-1196822-A1 MARKED, DIFFICULT-TO-COUNTERFEIT DOCUMENTS Inksure Ltd. (IL) 2002-04-17 EP disclosed
WO-2000079347-A1 MARKED, DIFFICULT-TO-COUNTERFEIT DOCUMENTS INKSURE LTD. (IL) 2000-12-28 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-20130029878-A1 Method for Assaying Histone Methylation Enzyme Activity EHMT1, DOT1L, EHMT2 MAP2K1 1269/4885AR 2427/4885ALDH1A1 1742/4885
US-20130202536-A1 FLUOROPHORE CHELATED LANTHANIDE LUMINESCENT PROBES WITH IMPROVED QUANTUM EFFICIENCY CLTA, LARS1, SSB MAP2K1 4800/4885AR 4549/4885ALDH1A1 3259/4885

“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.