SCHEMBL4345823

SCHEMBL4345823

COc1ccc(O)c(C2Sc3ccccc3N2C(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BCHE P06276 5/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ AR P10275 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 5/20 0.38

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
SCHEMBL6184773 0.91 BCHE (0.42) CYP3A4ALDH1A1HPGDMAPK1BCHE
SCHEMBL4354365 0.85 BCHE (0.40) CYP3A4HSD17B3ALDH1A1HPGDMAPK1
SCHEMBL4341830 0.85 BCHE (0.38) CYP3A4HSD17B3ALDH1A1HPGDMAPK1
SCHEMBL4345682 0.82 HPGD (0.40) CYP3A4HSD17B3ALDH1A1HPGDMAPK1
SCHEMBL10994406 0.82 MYLK (0.43) HSD17B3ALDH1A1HPGDBCHEHIF1A
SCHEMBL4347254 0.81 CYP3A4 (0.54) CYP3A4HSD17B3ALDH1A1HPGDMAPT
SCHEMBL11001713 0.81 CYP3A4 (0.54) CYP3A4HSD17B3ALDH1A1HPGDMAPT
SCHEMBL4349307 0.80 CYP3A4 (0.53) CYP3A4HSD17B3ALDH1A1HPGDBCHE
SCHEMBL4526534 0.80 CYP3A4 (0.37) CYP3A4ALDH1A1HPGDMAPK1BCHE
SCHEMBL11000800 0.79 CYP3A4 (0.53) CYP3A4HSD17B3ALDH1A1HPGDBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61083175-A — — None — — JP disclosed
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
JP-S6183175-A BENZOTHIAZOLINE DERIVATIVE, AND DRUG FOR CIRCULATORY ORGAN CONTAINING SAID DERIVATIVE AS MAIN COMPONENT SANTEN PHARMACEUT CO LTD 1986-04-26 — — JP 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 361/4885HSD17B3 1314/4885ALDH1A1 699/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885HSD17B3 682/4885ALDH1A1 2422/4885

“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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