SCHEMBL3111586

SCHEMBL3111586

CC(C)C[C@H](CNC(=O)c1ccccc1CO[N+](=O)[O-])CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PRMT5 O14744 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 3/20 0.35
KCNA3 P22001 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL13016806 1.00 EGLN2 (0.42) EGLN2EGLN1PRMT5SMN1; SMN2HPGD
SCHEMBL13016815 0.85 ALDH1A1 (0.37) EGLN2EGLN1ALDH1A1KDM4EHSD17B10
SCHEMBL3116579 0.85 ALDH1A1 (0.37) EGLN2EGLN1ALDH1A1KDM4EHSD17B10
SCHEMBL13016803 0.81 TMEM97 (0.44) EGLN2EGLN1SMN1; SMN2HPGDGAA
SCHEMBL3118589 0.81 TMEM97 (0.44) EGLN2EGLN1SMN1; SMN2HPGDGAA
SCHEMBL13016805 0.80 TMEM97 (0.48) EGLN2EGLN1SMN1; SMN2HPGDGAA
SCHEMBL3122259 0.80 TMEM97 (0.48) EGLN2EGLN1SMN1; SMN2HPGDGAA
SCHEMBL3116575 0.77 ALDH1A1 (0.33) POLBCYP2C19ALDH1A1KDM4EHSD17B10
SCHEMBL3111580 0.75 PTGS2 (0.33) SMN1; SMN2CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL13016821 0.74 EGLN2 (0.40) EGLN2EGLN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642289-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-01-05 US claimed
US-20060270608-A1 Drugs for chronic pain NICOX S.A. (FR) 2006-11-30 US claimed
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
US-20060270608-A1 Drugs for chronic pain NICOX S.A. (FR) 2006-11-30 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 (2 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 EGLN2 1660/4885EGLN1 2059/4885PRMT5 1574/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 EGLN2 1660/4885EGLN1 2059/4885PRMT5 1574/4885

“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.