SCHEMBL5402170

SCHEMBL5402170

Cc1oc(-c2ccccc2)nc1COc1cccc(COc2cc(CCC(=O)O)n(-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
KDR P35968 1/20 0.58
PPARG P37231 18/20 0.55
PPARA Q07869 17/20 0.55
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL5413103 0.92 KDR (0.55) FFAR1KDRPPARGPPARA
SCHEMBL5399220 0.92 FFAR1 (0.69) FFAR1PPARGPPARA
SCHEMBL4845660 0.86 FFAR1 (0.54) FFAR1PPARGPPARA
SCHEMBL12652902 0.84 FFAR1 (0.78) FFAR1KDRPPARGPPARACYP2C9
SCHEMBL5403539 0.84 FFAR1 (0.57) FFAR1KDRPPARGPPARA
SCHEMBL4034751 0.82 FFAR1 (0.81) FFAR1KDRPPARGPPARACYP2C9
SCHEMBL4031039 0.80 KDR (0.74) FFAR1KDRPPARGPPARACYP2C9
SCHEMBL5404374 0.79 FFAR1 (0.46) FFAR1PPARGPPARA
SCHEMBL1744988 0.78 FFAR1 (0.64) FFAR1KDRPPARGPPARACYP2C9
SCHEMBL4032802 0.78 FFAR1 (0.64) FFAR1KDRPPARGPPARACYP2C9

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 6 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 claimed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US claimed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP claimed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US 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

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 FFAR1 14/4885KDR 2417/4885PPARG 433/4885

“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.