SCHEMBL17138366

SCHEMBL17138366

Fc1cccc(Cl)c1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
CYP2A13 Q16696 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 1/20 0.35
BACE1 P56817 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34

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
SCHEMBL14955912 0.85 CYP1A2 (0.43) GAAALDH1A1TAAR1CYP1A2CYP2A6
SCHEMBL1397081 0.82 ALDH1A1 (0.41) GAAALDH1A1TAAR1CES2CES1
SCHEMBL18894118 0.82 CES2 (0.43) GAAALDH1A1TAAR1CES2CES1
SCHEMBL7181065 0.81 GAA (0.44) GAAALDH1A1TAAR1CES2CES1
SCHEMBL27743208 0.80 CES2 (0.41) GAAALDH1A1TAAR1CES2CES1
SCHEMBL4547923 0.79 ALDH1A1 (0.42) GAAALDH1A1TAAR1CES2CES1
SCHEMBL20256641 0.79 TAAR1 (0.45) GAAALDH1A1TAAR1CES2CES1
SCHEMBL11090617 0.77 GAA (0.41) GAAALDH1A1TAAR1CES2CES1
SCHEMBL23212814 0.76 CES2 (0.41) GAAALDH1A1TAAR1CES2CES1
SCHEMBL17553264 0.76 ALDH1A1 (0.41) GAAALDH1A1TAAR1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US disclosed
CN-105208859-A Novel 4-aminopyridine and 6-aminopyrimidine carboxylates as herbicides DOW AGROSCIENCES LLC 2015-12-30 CN disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 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 (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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 GAA 1416/4885ALDH1A1 157/4885TAAR1 285/4885

“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.