SCHEMBL5377034

SCHEMBL5377034

COC(=O)c1cc(OCc2ccc3ccccc3n2)no1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.58
ALOX5AP P20292 7/20 0.50
GPBAR1 Q8TDU6 3/20 0.48
ALOX5 P09917 2/20 0.47

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
SCHEMBL630644 0.80 SMPD1 (0.61) ALOX5
SCHEMBL5381858 0.78 CYSLTR1 (0.56) CYSLTR1GPBAR1
SCHEMBL5112999 0.77 CYSLTR1 (0.58) CYSLTR1ALOX5APGPBAR1
SCHEMBL8801078 0.76 CYSLTR1 (0.64) CYSLTR1ALOX5APGPBAR1
SCHEMBL5382515 0.75 CYSLTR1 (0.52) CYSLTR1ALOX5APGPBAR1
SCHEMBL8708062 0.75 SMPD1 (0.46)
SCHEMBL9582305 0.74 CYSLTR1 (0.61) CYSLTR1ALOX5APGPBAR1
SCHEMBL3271439 0.74 CYSLTR1 (0.76) CYSLTR1ALOX5APGPBAR1ALOX5
SCHEMBL25213744 0.74 CYSLTR1 (0.78) CYSLTR1ALOX5APGPBAR1
SCHEMBL9130463 0.74 CYSLTR1 (1.00) CYSLTR1ALOX5APGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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 (1 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 CYSLTR1 537/4885ALOX5AP 153/4885GPBAR1 72/4885

“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.