SCHEMBL3264797

SCHEMBL3264797

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
TMEM97 Q5BJF2 5/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MEN1 O00255 1/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL3780102 0.82 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3264798 0.76 CA12 (0.45) CA12CA1CA2CA4CA9
SCHEMBL3264794 0.73 CA1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL3108504 0.72 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3104775 0.72 TMEM97 (0.38) TMEM97ALDH1A1SMN1; SMN2KDM4EROCK2
SCHEMBL13546028 0.69 CYP4F2 (0.56) CA12CA1CA2CA4CA9
SCHEMBL27632659 0.67 TMEM97 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3116575 0.65 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10PTGS2
SCHEMBL186313 0.65 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL2958012 0.65 CA12 (0.64) CA12CA1CA2CA4CA9

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 CA12 3316/4885CA1 1813/4885CA2 860/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 CA12 3316/4885CA1 1813/4885CA2 860/4885

“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.