SCHEMBL4745823

SCHEMBL4745823

Cc1ccc(C(=O)CC(=O)C(F)(F)F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.60
PLOD3 O60568 2/20 0.60
PLOD1 Q02809 2/20 0.60
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 2/20 0.47
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
VNN1 O95497 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21405015 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1HDAC1HDAC6
SCHEMBL17336941 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1
SCHEMBL8099539 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1KCNQ3KCNQ2
SCHEMBL31081383 0.80 NNMT (0.54) PLOD2PLOD3PLOD1KDM4ENPC1
SCHEMBL10812902 0.80 HDAC1 (0.58) PLOD2HDAC1HDAC6KDM4EKCNQ3
SCHEMBL1593867 0.78 PLOD2 (0.70) PLOD2PLOD3PLOD1HDAC1HDAC6
SCHEMBL4734775 0.77 HDAC1 (0.54) HDAC1HDAC6KDM4EKCNQ3KCNQ2
SCHEMBL10613378 0.76 PLOD2 (0.68) PLOD2PLOD3PLOD1HDAC1HDAC6
SCHEMBL2632670 0.75 HDAC1 (0.56) HDAC1HDAC6KDM4EKCNQ3KCNQ2
SCHEMBL1925385 0.75 PLOD2 (1.00) PLOD2PLOD3PLOD1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 PLOD2 4678/4885PLOD3 4499/4885PLOD1 4599/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 PLOD2 4678/4885PLOD3 4499/4885PLOD1 4599/4885

“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.