SCHEMBL5405433

SCHEMBL5405433

COC(=O)Cc1cn(C)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
PPARG P37231 13/20 0.52
PPARA Q07869 11/20 0.52
MAPT P10636 3/20 0.49
KDR P35968 1/20 0.46

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
SCHEMBL5395193 0.92 FFAR1 (0.61) FFAR1PPARGPPARAKDR
SCHEMBL5403520 0.89 PPARG (0.48) FFAR1PPARGPPARA
SCHEMBL5395507 0.85 PPARG (0.63) FFAR1PPARGPPARA
SCHEMBL4034286 0.85 FFAR1 (0.69) FFAR1PPARGPPARAMAPTKDR
SCHEMBL6156630 0.83 FFAR1 (0.71) FFAR1PPARGPPARAMAPTKDR
SCHEMBL5403572 0.82 FFAR1 (0.59) FFAR1PPARGPPARAKDR
SCHEMBL5407125 0.81 PPARG (0.49) FFAR1PPARGPPARA
SCHEMBL4035539 0.81 FFAR1 (0.56) FFAR1PPARGPPARAMAPTKDR
SCHEMBL5396849 0.81 FFAR1 (0.58) FFAR1PPARGPPARAKDR
SCHEMBL4034811 0.81 MAPT (0.59) FFAR1PPARGPPARAMAPTKDR

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 14/4885PPARG 433/4885PPARA 301/4885

“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.