SCHEMBL1970549

SCHEMBL1970549

CCCCC(N)=C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 3/20 0.39
AKR1B1 P15121 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 2/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 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
SCHEMBL1970544 1.00 THRB (0.44) THRBFNTAFNTBPGGT1BCES1
SCHEMBL8884306 0.86 FFAR3 (0.42) THRBFNTAFNTBPGGT1BCES1
SCHEMBL4621796 0.86 FFAR3 (0.42) THRBFNTAFNTBPGGT1BCES1
SCHEMBL935469 0.83 FNTA (0.48) THRBFNTAFNTBPGGT1BCES1
SCHEMBL2064793 0.83 FNTA (0.48) THRBFNTAFNTBPGGT1BCES1
SCHEMBL9189412 0.81 FNTA (0.47) THRBFNTAFNTBPGGT1BCES1
SCHEMBL20564044 0.79 FNTA (0.54) THRBFNTAFNTBPGGT1BCES1
SCHEMBL4795567 0.79 FNTA (0.54) THRBFNTAFNTBPGGT1BCES1
SCHEMBL4795561 0.79 FNTA (0.54) THRBFNTAFNTBPGGT1BCES1
SCHEMBL5596730 0.79 GRIK1 (0.40) THRBFNTAFNTBPGGT1BALDH1A1

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
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO 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 (3 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 THRB 1283/4885FNTA 606/4885FNTB 287/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 THRB 1283/4885FNTA 606/4885FNTB 287/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 THRB 1283/4885FNTA 606/4885FNTB 287/4885

“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.