SCHEMBL4345682

SCHEMBL4345682

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSD17B3 P37058 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C9 P11712 1/20 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
SCHEMBL4354365 0.84 BCHE (0.40) HPGDLMNAHSD17B3P2RX1CYP3A4
SCHEMBL4345823 0.82 CYP3A4 (0.42) HPGDLMNAHSD17B3CYP3A4CYP1A2
SCHEMBL4353492 0.78 CYP3A4 (0.43) HPGDLMNACYP3A4MEN1KMT2A
SCHEMBL4351878 0.76 CYP3A4 (0.41) HPGDLMNACYP3A4MAPTNPSR1
Hydrochloric Acid SCHEMBL4346070 0.76 CYP3A4 (0.41) HPGDLMNACYP3A4MAPTNPSR1
SCHEMBL6184773 0.73 BCHE (0.42) HPGDLMNACYP3A4CYP1A2CYP2C19
SCHEMBL4526534 0.65 CYP3A4 (0.37) HPGDLMNACYP3A4MEN1KMT2A
SCHEMBL11001713 0.65 CYP3A4 (0.54) HPGDHSD17B3CYP3A4ALDH1A1MAPT
SCHEMBL4347254 0.65 CYP3A4 (0.54) HPGDHSD17B3CYP3A4ALDH1A1MAPT
SCHEMBL6217033 0.65 ALDH1A1 (0.34) HPGDLMNAHSD17B3CYP3A4CYP2C19

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 HPGD 2419/4885LMNA 4376/4885HSD17B3 1314/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 HPGD 445/4885LMNA 4619/4885HSD17B3 682/4885

“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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