SCHEMBL4344339

SCHEMBL4344339

COc1ccc(OC(C)CCOS(=O)(=O)c2ccc(C)cc2)c(C2Sc3cc(Cl)ccc3N2C(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ NR1I2 O75469 1/20 0.32

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
SCHEMBL4346245 0.83 CYP3A4 (0.35) KMT2ALMNACYP3A4PPARGPPARD
SCHEMBL17500671 0.82 CYP3A4 (0.35) LMNACYP3A4PPARGPPARDPPARA
SCHEMBL9965801 0.82 LMNA (0.30) LMNA
SCHEMBL3165627 0.81 CYP3A4 (0.34) LMNACYP3A4PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL3165174 0.81 CYP3A4 (0.33) LMNACYP3A4PPARGPPARDPPARA
SCHEMBL17500838 0.81 CYP3A4 (0.34) CYP3A4PPARGPPARDPPARA
SCHEMBL4353157 0.79 CYP3A4 (0.41) KMT2ALMNACYP3A4HCRTR1HCRTR2
SCHEMBL4344795 0.79 CYP3A4 (0.45) KMT2AMEN1LMNACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4357331 0.78 CYP3A4 (0.44) KMT2AMEN1LMNACYP3A4ALDH1A1
SCHEMBL4344543 0.77 CYP3A4 (0.43) KMT2ALMNACYP3A4ALDH1A1MAPT

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 KMT2A 605/4885MEN1 4883/4885LMNA 4376/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 KMT2A 876/4885MEN1 4822/4885LMNA 4619/4885

“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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