SCHEMBL13016805

SCHEMBL13016805

CC(C)CC(CNC(=O)c1cccc(CO[N+](=O)[O-])c1)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.48
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.44
EGLN2 Q96KS0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3122259 1.00 TMEM97 (0.48) TMEM97KMT2AGAAHSD17B10ATM
SCHEMBL13016803 0.87 TMEM97 (0.44) TMEM97KMT2AGAAATMEGLN2
SCHEMBL3118589 0.87 TMEM97 (0.44) TMEM97KMT2AGAAATMEGLN2
SCHEMBL13016818 0.86 TMEM97 (0.39) TMEM97RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3104786 0.86 TMEM97 (0.39) TMEM97RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3109578 0.84 EGLN2 (0.40) TMEM97KMT2AEGLN2EGLN1RAB9A
SCHEMBL13016821 0.84 EGLN2 (0.40) TMEM97KMT2AEGLN2EGLN1RAB9A
SCHEMBL3111586 0.80 EGLN2 (0.42) GAAHSD17B10EGLN2EGLN1RAB9A
SCHEMBL13016806 0.80 EGLN2 (0.42) GAAHSD17B10EGLN2EGLN1RAB9A
SCHEMBL3104775 0.79 TMEM97 (0.38) TMEM97RAB9AMAPTALDH1A1SMN1; SMN2

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-7858665-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-12-28 US disclosed
US-7642289-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-01-05 US disclosed
US-20090239832-A1 DRUGS FOR CHRONIC PAIN NICOX SA (FR) 2009-09-24 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-20090239832-A1 DRUGS FOR CHRONIC PAIN OPRK1, OPRL1, OPRD1 TMEM97 555/4885KMT2A 1080/4885GAA 4628/4885

“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.