SCHEMBL4344800

SCHEMBL4344800

CC(C)N(CCOCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
CTSB P07858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.47
PPARA Q07869 2/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL16369967 0.90 L3MBTL1 (0.55) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL16369968 0.90 L3MBTL1 (0.55) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL16369984 0.87 L3MBTL1 (0.52) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL16369983 0.87 L3MBTL1 (0.52) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL16993182 0.83 L3MBTL1 (0.62) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL22945722 0.82 CTSB (0.59) L3MBTL1CTSBALDH1A1LMNAHTT
SCHEMBL25852154 0.81 KMT2A (0.59) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6987866 0.81 L3MBTL1 (0.59) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL8501723 0.81 L3MBTL1 (0.59) L3MBTL1CTSBNPSR1PPARAALDH1A1
SCHEMBL25291183 0.81 L3MBTL1 (0.48) L3MBTL1CTSBNPSR1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 EP disclosed
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 EP disclosed
CN-1642929-B Kappa-opioid receptor agonists containing 2-phenylbenzothiazoline derivatives SANTEN PHARMACEUTICAL CO LTD 2010-05-12 CN disclosed
CN-100522954-C Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
CN-1911918-A Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2007-02-14 CN disclosed
US-7112598-B2 κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-26 US disclosed
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-14 US disclosed
CN-1642929-A Kappa-opioid receptor agonists containing 2-phenylbenzothiazoline derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2005-07-20 CN disclosed
US-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1496053-A1 KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 EP 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-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative OPRK1, OPRD1, OPRL1 L3MBTL1 2897/4885CTSB 2630/4885NPSR1 20/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 L3MBTL1 3310/4885CTSB 1738/4885NPSR1 75/4885

“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.