SCHEMBL3043823

SCHEMBL3043823

CC(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 1.00
CA9 Q16790 5/20 0.67
CA12 O43570 4/20 0.67
CA1 P00915 1/20 0.67
AR P10275 1/20 0.62
ALDH1A1 P00352 2/20 0.60
HSD17B3 P37058 1/20 0.59
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
SRC P12931 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TLR9 Q9NR96 1/20 0.56
MAPT P10636 1/20 0.55

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
SCHEMBL12703330 0.87 MAP2K1 (0.77) MAP2K1CA9CA12CA1AR
SCHEMBL14176755 0.86 MAP2K1 (0.75) MAP2K1CA9CA12ARALDH1A1
SCHEMBL32688396 0.84 MAP2K1 (0.72) MAP2K1CA9CA12ARALDH1A1
SCHEMBL7931393 0.83 MAP2K1 (0.71) MAP2K1CA9CA12ARALDH1A1
SCHEMBL12703486 0.83 MAP2K1 (0.71) MAP2K1CA9CA12ARALDH1A1
SCHEMBL7560587 0.83 MAP2K1 (0.71) MAP2K1CA9CA12ARALDH1A1
SCHEMBL24876966 0.82 MAP2K1 (0.70) MAP2K1CA9CA12ARALDH1A1
SCHEMBL29724596 0.82 MAP2K1 (0.70) MAP2K1CA9CA12CA1AR
SCHEMBL28433664 0.82 MAP2K1 (0.70) MAP2K1CA9CA12CA1AR
SCHEMBL20870226 0.82 MAP2K1 (0.69) MAP2K1CA9CA12ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160391-A1 Substituted Aminopyridines as Fluorescent Reporters for Amide Hydrolases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-24 US disclosed
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
WO-2008008732-A2 SUBSTITUTED AMINOPYRIDINES AS FLUORESCENT REPORTERS FOR AMIDE HYDROLASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-17 WO disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 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-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same NSUN3, RNGTT, NSUN2 MAP2K1 4727/4885CA9 2364/4885CA12 1995/4885
US-20100160391-A1 Substituted Aminopyridines as Fluorescent Reporters for Amide Hydrolases APEH, AADAC, NAALAD2 MAP2K1 4663/4885CA9 1796/4885CA12 2907/4885

“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.