SCHEMBL4526534

SCHEMBL4526534

CCN1c2ccccc2SC1c1cc(OC)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 5/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ GFER P55789 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ CLK1 P49759 2/20 0.36
▸ CLK3 P49761 2/20 0.36
▸ CSNK1G2 P78368 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ MAP3K19 Q56UN5 2/20 0.36
▸ PIM3 Q86V86 2/20 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
SCHEMBL4345823 0.80 CYP3A4 (0.42) CYP3A4HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL6184773 0.80 BCHE (0.42) CYP3A4HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL9748612 0.72 RAB9A (0.42) CYP3A4ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL7288638 0.71 PDPK1 (0.44) CYP3A4ALDH1A1KDM4EUSP2GFER
SCHEMBL24228679 0.70 CYP3A4 (0.45) CYP3A4ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL7291385 0.70 CYP3A4 (0.40) CYP3A4ALDH1A1KDM4EGAAUSP2
SCHEMBL4354365 0.68 BCHE (0.40) CYP3A4HPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL17325500 0.67 TYR (0.44) CYP3A4HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL21246970 0.67 RAB9A (0.65) CYP3A4HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL24228678 0.67 CACNA1S (0.43) CYP3A4HPGDALDH1A1SMN1; SMN2GAA

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 7 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-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-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 361/4885HPGD 2419/4885HSD17B10 1805/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885HPGD 445/4885HSD17B10 1076/4885

“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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