SCHEMBL5403573

SCHEMBL5403573

Cc1oc(-c2ccco2)nc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
PPARA Q07869 12/20 0.51
PPARG P37231 12/20 0.51
PPARD Q03181 2/20 0.48
VDR P11473 1/20 0.48
KDM4E B2RXH2 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4034601 0.88 FFAR1 (0.52) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4034983 0.86 KDR (0.53) FFAR1PPARAPPARGKDM4EMAPT
SCHEMBL4042286 0.86 FFAR1 (0.48) FFAR1PPARAPPARGMAPT
SCHEMBL5402187 0.84 POLB (0.53) FFAR1PPARAPPARGKDM4EMAPT
SCHEMBL4033057 0.84 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EMAPT
SCHEMBL5403576 0.84 FFAR1 (0.79) FFAR1PPARAPPARGPPARDVDR
SCHEMBL4850543 0.84 PPARG (0.61) FFAR1PPARAPPARGPPARDKDM4E
SCHEMBL4026930 0.82 PPARA (0.70) FFAR1PPARAPPARGPPARD
SCHEMBL4032164 0.82 FFAR1 (0.76) FFAR1PPARAPPARGPPARDVDR
SCHEMBL4032981 0.81 PPARA (0.53) FFAR1PPARAPPARGPPARD

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 3 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-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 14/4885PPARA 301/4885PPARG 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.