SCHEMBL3264798

SCHEMBL3264798

CC(C)CCC(CNC(=O)OCOC(=O)c1ccc(CO[N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TMEM97 Q5BJF2 5/20 0.35
ALDH1A1 P00352 1/20 0.34
CTSL P07711 5/20 0.34
CTSB P07858 5/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SLC1A3 P43003 1/20 0.33

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
SCHEMBL27632659 0.90 TMEM97 (0.39) CA12CA1CA2CA4CA9
SCHEMBL27613529 0.83 KCNA5 (0.37) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL13016822 0.82 CA12 (0.45) CA12CA1CA2CA4CA9
SCHEMBL3780107 0.82 CA12 (0.45) CA12CA1CA2CA4CA9
SCHEMBL3258681 0.81 CPA1 (0.36) MEN1KMT2ASLC1A3SLC1A1
SCHEMBL13016845 0.80 CA12 (0.45) CA12CA1CA2CA4CA9
SCHEMBL3264797 0.76 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL17865359 0.74 SLC1A3 (0.55) CTSLCTSBHSD17B10SLC1A3SLC1A1
SCHEMBL27632782 0.73 POLB (0.37) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL13016818 0.72 TMEM97 (0.39) 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.