SCHEMBL4346245

SCHEMBL4346245

COc1ccc(OC(C)CCN(O)C(C)C)c(C2Sc3cc(Cl)ccc3N2C(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ TSPO P30536 1/20 0.32
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TP53 P04637 3/20 0.32
▸ MDM2 Q00987 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B3 P37058 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CACNA1S Q13698 1/20 0.31

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
SCHEMBL3165627 0.90 CYP3A4 (0.34) CYP3A4TSPOPPARGPPARDPPARA
SCHEMBL17500671 0.89 CYP3A4 (0.35) CYP3A4TSPOPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL3165174 0.89 CYP3A4 (0.33) CYP3A4TSPOPPARGPPARDPPARA
SCHEMBL4344543 0.88 CYP3A4 (0.43) CYP3A4ALDH1A1LMNATSHRTP53
SCHEMBL3159007 0.88 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATSHRTP53
SCHEMBL17500831 0.88 CYP3A4 (0.35) CYP3A4TSPOPPARGPPARDPPARA
SCHEMBL17500923 0.87 TP53 (0.35) CYP3A4TSPOPPARGPPARDPPARA
SCHEMBL17500838 0.87 CYP3A4 (0.34) CYP3A4PPARGPPARDPPARATP53
Hydrochloric Acid SCHEMBL4353207 0.87 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATSHRTP53
SCHEMBL4344339 0.83 KMT2A (0.35) CYP3A4PPARGPPARDPPARAALDH1A1

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 11 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
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
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
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 CYP3A4 361/4885TSPO 508/4885PPARG 437/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885TSPO 1283/4885PPARG 318/4885

“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.

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