SCHEMBL12603841

SCHEMBL12603841

Cn1nc(N2CCN(C(=O)Oc3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 6/20 0.61
▸ TRPV1 Q8NER1 4/20 0.61
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.43
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 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
SCHEMBL1781717 0.82 POLB (0.55) TP53ALDH1A1ATMKDM4ELMNA
SCHEMBL1781126 0.80 TSHR (0.58) TP53ALDH1A1ATMLMNAMAPT
SCHEMBL1783515 0.76 TP53 (0.46) TP53ATMKDM4ELMNAMAPT
SCHEMBL2288883 0.74 TRPA1 (0.57) TRPA1TRPV1ALDH1A1GAAATM
SCHEMBL27814536 0.74 TRPV1 (0.60) TRPA1TRPV1ALDH1A1GAAATM
SCHEMBL10457573 0.72 GAA (0.64) TRPA1TRPV1GAAATM
SCHEMBL4380655 0.71 TRPV1 (0.54) TRPA1TRPV1ALDH1A1
SCHEMBL12655782 0.71 ALDH1A1 (0.66) TRPA1TRPV1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL4380652 0.70 HRH3 (0.54) TRPA1TRPV1ALDH1A1
SCHEMBL8094577 0.69 TRPA1 (0.54) TRPA1TRPV1ALDH1A1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS TRPA1 4595/4885TRPV1 4104/4885TP53 57/4885

“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.

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