SCHEMBL3264794

SCHEMBL3264794

COC(=O)[C@@](N)(OC(=O)c1ccc(CO[N+](=O)[O-])cc1)C(CCC(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
TMEM97 Q5BJF2 5/20 0.34
KMT2A Q03164 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 2/20 0.31
PTGS2 P35354 1/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27632662 0.89 SLC7A5 (0.39) TMEM97ROCK2ROCK1LOXL2RAB9A
SCHEMBL27613531 0.83 PTGS2 (0.33) KMT2APTGS2ALDH1A1
SCHEMBL3264797 0.73 CA12 (0.40) CA1CA2CA4CA12CA9
SCHEMBL13525150 0.71 CA12 (0.56) CA1CA2CA4CA12CA9
SCHEMBL3264798 0.69 CA12 (0.45) CA1CA2CA4CA12CA9
SCHEMBL3108498 0.69 CA1 (0.41) CA1CA2CA4CA12CA9
SCHEMBL13546028 0.68 CYP4F2 (0.56) CA1CA2CA4CA12CA9
SCHEMBL3780102 0.66 CA12 (0.39) CA1CA2CA4CA12CA9
SCHEMBL186313 0.65 CA12 (0.56) CA1CA2CA4CA12CA9
SCHEMBL2958012 0.64 CA12 (0.64) CA1CA2CA4CA12CA9

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 5 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 claimed
US-20090239832-A1 DRUGS FOR CHRONIC PAIN NICOX SA (FR) 2009-09-24 US claimed
US-20060270608-A1 Drugs for chronic pain NICOX S.A. (FR) 2006-11-30 US claimed
US-7642289-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-01-05 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 CA1 1813/4885CA2 860/4885CA4 2655/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 CA1 1813/4885CA2 860/4885CA4 2655/4885

“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.