SCHEMBL1985251

SCHEMBL1985251

CCOC(=O)C(O)C(C)C(O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
ALDH1A1 P00352 7/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL29418619 0.90 GABBR2 (0.41) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL16808676 0.90 GABBR2 (0.41) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL1984519 0.84 NPSR1 (0.39) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL3312576 0.81 ALDH1A1 (0.41) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL29045259 0.80 GABBR2 (0.43) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL27551239 0.75 GABBR2 (0.41) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL20749210 0.74 GABBR2 (0.43) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL27584315 0.71 GABBR2 (0.38) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL31387404 0.70 CYP3A4 (0.46) GABBR2GABBR1ALDH1A1HPGDNPSR1
SCHEMBL16795944 0.70 GABBR2 (0.47) GABBR2GABBR1ALDH1A1HPGDNPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227620-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2012-07-24 US disclosed
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP disclosed
US-20100105896-A1 PHARMACEUTICAL COMPOUNDS Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-04-29 US disclosed
US-7659407-B2 pyrazole derivatives having affinity for cannabinoidergic CB1 and/or CB2 receptors; immune disorders, osteoporosis, renal ischemia, inflammation,transplant rejection; 5-(5-Chloro-thiofen-2-yl)-1-(4-methoxy-phenyl)-4-methyl-1H-pyrazol-3-carboxylic acid Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-02-09 US disclosed
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 EP disclosed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 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-20100105896-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, OPRD1 GABBR2 146/4885GABBR1 130/4885ALDH1A1 1235/4885
US-20050261281-A1 Pharmaceutical compounds CNR1, CNR2, OPRD1 GABBR2 233/4885GABBR1 243/4885ALDH1A1 1136/4885

“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.