SCHEMBL17818474

SCHEMBL17818474

FC(F)(F)c1ccc2c(-c3ccc(Cl)c(Cl)c3)n[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.68
MAP2K4 P45985 8/20 0.61
MAPK1 P28482 3/20 0.60
MAPK6 Q16659 3/20 0.60
IDO1 P14902 1/20 0.60
MAPKAPK5 Q8IW41 1/20 0.60
MAPKAPK3 Q16644 2/20 0.51
MAPKAPK2 P49137 1/20 0.51
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNQ1 P51787 1/20 0.46
SCN5A Q14524 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GYS1 P13807 1/20 0.43
PDPK1 O15530 1/20 0.42
HSP90AB1 P08238 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
SCHEMBL4029772 0.80 TRPA1 (0.68) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL4027845 0.79 MAP2K4 (0.78) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL1513065 0.79 MAP2K4 (0.70) TRPA1MAP2K4MAPK1MAPK6IDO1
SCHEMBL17829918 0.78 IDO1 (0.65) MAP2K4MAPK1MAPK6IDO1MAPKAPK5
SCHEMBL22819365 0.76 MAP2K4 (1.00) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL22801763 0.75 MAP2K4 (1.00) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL17832991 0.74 DYRK1A (0.59) TRPA1ALDH1A1HPGDGSK3B
SCHEMBL11683028 0.73 IDO1 (0.71) MAP2K4IDO1MAPKAPK2ALDH1A1MAPT
SCHEMBL2662677 0.72 TRPA1 (0.56) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL17829604 0.71 MAP2K4 (0.66) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5

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
EP-3229593-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS Synereca Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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 (1 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 TRPA1 1229/4885MAP2K4 793/4885MAPK1 192/4885

“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.