SCHEMBL3104775

SCHEMBL3104775

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.38
MAPT P10636 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
SLC7A5 Q01650 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
FFAR1 O14842 1/20 0.33
MAOB P27338 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
SCHEMBL3780102 0.89 CA12 (0.39) TMEM97KDM4EALDH1A1SMN1; SMN2ROCK2
SCHEMBL3116575 0.82 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL3122259 0.79 TMEM97 (0.48) TMEM97MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL13016805 0.79 TMEM97 (0.48) TMEM97MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3104786 0.78 TMEM97 (0.39) TMEM97MAPTKDM4EALDH1A1RAB9A
SCHEMBL13016818 0.78 TMEM97 (0.39) TMEM97MAPTKDM4EALDH1A1RAB9A
SCHEMBL3119879 0.74 TMEM97 (0.40) TMEM97MAPTMRGPRX4KDM4EALDH1A1
SCHEMBL3109578 0.72 EGLN2 (0.40) TMEM97ALDH1A1RAB9AFFAR1
SCHEMBL13016821 0.72 EGLN2 (0.40) TMEM97ALDH1A1RAB9AFFAR1
SCHEMBL3264797 0.72 CA12 (0.40) TMEM97MAPTKDM4EALDH1A1SMN1; SMN2

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 3760/4885MRGPRX4 852/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 TMEM97 555/4885MAPT 3760/4885MRGPRX4 852/4885

“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.