SCHEMBL5404374

SCHEMBL5404374

CCOC(=O)CCc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PPARG P37231 11/20 0.42
MAPT P10636 2/20 0.41
PPARA Q07869 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4845660 0.93 FFAR1 (0.54) FFAR1PPARGMAPTPPARA
SCHEMBL5403539 0.89 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL4851773 0.88 KDR (0.48) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL5413103 0.87 KDR (0.55) FFAR1PPARGPPARA
SCHEMBL4850509 0.85 FFAR1 (0.46) FFAR1PPARGMAPTPPARAKMT2A
SCHEMBL4850523 0.85 MAPT (0.46) FFAR1PPARGMAPTPPARASMN1; SMN2
SCHEMBL4852292 0.84 FFAR1 (0.39) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4853077 0.83 FFAR1 (0.43) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4853083 0.83 FFAR1 (0.43) FFAR1PPARGMAPTPPARARXFP1
SCHEMBL4848043 0.82 MAPT (0.43) FFAR1PPARGMAPTPPARARXFP1

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 433/4885MAPT 4614/4885

“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.