SCHEMBL3104786

SCHEMBL3104786

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.39
MAPT P10636 2/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
CTSL P07711 6/20 0.37
CTSB P07858 6/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL13016818 1.00 TMEM97 (0.39) TMEM97MAPTROCK2ROCK1CTSL
SCHEMBL13016822 0.90 CA12 (0.45) TMEM97ROCK2ROCK1CTSLCTSB
SCHEMBL3780107 0.90 CA12 (0.45) TMEM97ROCK2ROCK1CTSLCTSB
SCHEMBL13062750 0.86 RAB9A (0.39) MAPTCTSLCTSBKDM4EALDH1A1
SCHEMBL3122259 0.86 TMEM97 (0.48) TMEM97MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL13016805 0.86 TMEM97 (0.48) TMEM97MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL27632659 0.84 TMEM97 (0.39) TMEM97MAPTROCK2ROCK1KDM4E
SCHEMBL3116579 0.83 ALDH1A1 (0.37) CTSLCTSBKDM4EALDH1A1
SCHEMBL13016815 0.83 ALDH1A1 (0.37) CTSLCTSBKDM4EALDH1A1
SCHEMBL3109578 0.82 EGLN2 (0.40) TMEM97CTSLCTSBALDH1A1RAB9A

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 7 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-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 TMEM97 555/4885MAPT 3760/4885ROCK2 2983/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 TMEM97 555/4885MAPT 3760/4885ROCK2 2983/4885

“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.