Sugi Predict

Sugi Predict / Compounds / SCHEMBL544355

SCHEMBL544355

SCHEMBL544355

CCOc1ccc(Cl)c(-c2ccc(C(=O)OC)nc2-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PPARD Q03181 1/20 0.37

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
SCHEMBL4038711 0.92 FFAR1 (0.42) LMNAMAPTFFAR1FFAR4KDM4E
SCHEMBL914548 0.89 NOTUM (0.45) NOTUMLMNAMAPTKDM4ECYP1A2
SCHEMBL912923 0.86 NOTUM (0.44) NOTUMLMNAMAPTKDM4ECYP1A2
SCHEMBL913698 0.85 NOTUM (0.45) NOTUMLMNAMAPTKDM4ECYP1A2
SCHEMBL913482 0.84 CNR1 (0.40) NOTUMLMNAMAPTKDM4ECYP1A2
SCHEMBL912835 0.83 NOTUM (0.40) NOTUMLMNAMAPTKDM4ECYP1A2
SCHEMBL544339 0.83 FFAR1 (0.44) LMNAMAPTFFAR1FFAR4KDM4E
SCHEMBL544928 0.82 NOTUM (0.52) NOTUMMAPTKDM4ECYP1A2CYP2C9
SCHEMBL2490382 0.81 KDM4E (0.43) NOTUMMAPTKDM4ECYP1A2CYP2C9
SCHEMBL544584 0.78 NOTUM (0.51) NOTUMMAPTKDM4ECNR1SMN1; SMN2

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-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 — — US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 — — US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 — — US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 — — 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885LMNA 1816/4885MAPT 3323/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885LMNA 1816/4885MAPT 3323/4885

“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.