SCHEMBL16366557

SCHEMBL16366557

N/C(=N\O)c1cccc(CN(CC(=O)O)C(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.39
MEP1B Q16820 3/20 0.38
PRSS1 P07477 6/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
PPARG P37231 1/20 0.37
F2 P00734 1/20 0.37
MEP1A Q16819 1/20 0.36
GYS1 P13807 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 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
SCHEMBL16355715 0.85 SLC7A5 (0.37) TRPM8MEP1BPRSS1F2OPRM1
SCHEMBL15876207 0.85 SLC7A5 (0.37) TRPM8MEP1BPRSS1F2OPRM1
SCHEMBL15876209 0.85 SLC7A5 (0.37) TRPM8MEP1BPRSS1F2OPRM1
SCHEMBL2771473 0.81 CD274 (0.42) MEP1BPRSS1PPARGF2MEP1A
SCHEMBL2771476 0.81 CD274 (0.42) MEP1BPRSS1PPARGF2MEP1A
SCHEMBL16366240 0.80 GYS1 (0.39) TRPM8PPARGGYS1GRIN2DGRIN3B
SCHEMBL15876210 0.77 MEP1B (0.51) MEP1BMEP1AGYS1
SCHEMBL2774550 0.75 HDAC3 (0.43) MEP1BPRSS1PPARGF2GRIN2D
SCHEMBL2774547 0.75 HDAC3 (0.43) MEP1BPRSS1PPARGF2GRIN2D
SCHEMBL2810622 0.75 HDAC3 (0.43) MEP1BPRSS1PPARGF2GRIN2D

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 TRPM8 2856/4885MEP1B 412/4885PRSS1 13/4885

“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.