SCHEMBL16366240

SCHEMBL16366240

Nc1cccc(CN(CC(=O)O)C(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
HSD11B1 P28845 1/20 0.39
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6956921 0.89 GRIN2D (0.45) MAOAMAOBHSD11B1GRIN2DGRIN3B
SCHEMBL15876107 0.82 HSD11B1 (0.37) GYS1HSD11B1
SCHEMBL20633454 0.81 MAOA (0.42) MAOAMAOBHSD11B1GRM2GRM3
SCHEMBL3442205 0.81 HSD11B1 (0.43) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24326452 0.81 ACHE (0.44) GYS1TRPM8PPARGPPARA
SCHEMBL15876210 0.80 MEP1B (0.51) GYS1MAOB
SCHEMBL16366557 0.80 TRPM8 (0.39) GYS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16366561 0.79 ALDH1A1 (0.50) MAOBPKM
SCHEMBL3442223 0.79 EGFR (0.40) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15888269 0.79 TRPM8 (0.39) GYS1TRPM8PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 GYS1 449/4885MAOA 548/4885MAOB 220/4885

“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.