SCHEMBL4347898

SCHEMBL4347898

COc1ccc(OCCCCl)c(C2Sc3ccc(C(F)(F)F)cc3N2C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MALT1 Q9UDY8 2/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL4353492 0.88 CYP3A4 (0.43) CYP3A4PTGDR2LMNAMAPTGAA
SCHEMBL4345910 0.87 CYP3A4 (0.43) CYP3A4PTGDR2LMNAMAPTGAA
SCHEMBL4351878 0.85 CYP3A4 (0.41) CYP3A4PTGDR2LMNAMAPTGAA
SCHEMBL4347254 0.85 CYP3A4 (0.54) CYP3A4PTGDR2MAPTHPGDHSD17B3
Hydrochloric Acid SCHEMBL4346070 0.85 CYP3A4 (0.41) CYP3A4PTGDR2LMNAMAPTGAA
SCHEMBL11001713 0.83 CYP3A4 (0.54) CYP3A4PTGDR2MAPTHPGDHSD17B3
SCHEMBL4345682 0.83 HPGD (0.40) CYP3A4LMNAMAPTGAATSHR
SCHEMBL3159013 0.81 CYP3A4 (0.43) CYP3A4PTGDR2LMNAMAPTGAA
Hydrochloric Acid SCHEMBL3174493 0.81 CYP3A4 (0.43) CYP3A4PTGDR2LMNAMAPTGAA
SCHEMBL4349847 0.79 CYP3A4 (0.48) CYP3A4GAANR1I2KDM4E

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 361/4885PTGDR2 277/4885LMNA 4376/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885PTGDR2 52/4885LMNA 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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