SCHEMBL5407017

SCHEMBL5407017

Cc1oc(-c2ccccc2)nc1COc1cc(COc2nn(C)cc2CC(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
FFAR1 O14842 1/20 0.47
KDR P35968 1/20 0.44
PPARG P37231 17/20 0.43
PPARA Q07869 16/20 0.43

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
SCHEMBL5407125 0.87 PPARG (0.49) KDM4EFFAR1PPARGPPARA
SCHEMBL5395193 0.86 FFAR1 (0.61) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL5403564 0.86 KDM4E (0.47) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL5393169 0.85 FFAR1 (0.47) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL5395507 0.81 PPARG (0.63) FFAR1PPARGPPARA
SCHEMBL5403520 0.80 PPARG (0.48) FFAR1PPARGPPARA
SCHEMBL4031359 0.80 KDR (0.64) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL5405433 0.79 FFAR1 (0.56) FFAR1KDRPPARGPPARA
SCHEMBL5403620 0.78 PPARG (0.38) FFAR1PPARGPPARA
SCHEMBL5403149 0.78 PPARG (0.49) KDM4EFFAR1PPARGPPARA

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 KDM4E 1421/4885FFAR1 14/4885KDR 2417/4885

“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.