Sugi Predict

Sugi Predict / Compounds / SCHEMBL913462

SCHEMBL913462

SCHEMBL913462

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.41
▸ NOTUM Q6P988 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ MRGPRX4 Q96LA9 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
SCHEMBL2490092 0.92 UCHL1 (0.40) UCHL1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL543861 0.91 NOTUM (0.48) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL913698 0.84 NOTUM (0.45) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4046106 0.83 XDH (0.41) NOTUMHPGDMRGPRX4MEN1GAA
SCHEMBL914548 0.79 NOTUM (0.45) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL912923 0.78 NOTUM (0.44) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL544355 0.78 NOTUM (0.40) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL913482 0.78 CNR1 (0.40) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL912835 0.77 NOTUM (0.40) NOTUMKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL544658 0.76 PPARD (0.42) NOTUMKDM4ECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653276-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2014-02-18 — — US disclosed
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI (FR) 2013-09-26 — — US disclosed
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 — — US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 — — US 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-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 UCHL1 1504/4885NOTUM 2370/4885KDM4E 3689/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 UCHL1 1504/4885NOTUM 2370/4885KDM4E 3689/4885

“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.