SCHEMBL5407835

SCHEMBL5407835

COc1cc(COc2nn(-c3ccccc3)cc2CCC(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
FFAR1 O14842 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
PPARA Q07869 7/20 0.40
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL5403506 0.93 PPARG (0.48) PPARGFFAR1KDM4EALDH1A1TSHR
SCHEMBL4849091 0.93 PPARG (0.49) PPARGFFAR1KDM4EALDH1A1TSHR
SCHEMBL4848075 0.92 PPARG (0.50) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4853517 0.92 PPARG (0.49) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4851583 0.90 PPARG (0.50) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4851669 0.89 PPARG (0.51) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4850383 0.88 PPARG (0.48) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4850978 0.87 PPARG (0.49) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4848114 0.87 PPARG (0.48) PPARGKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4852048 0.87 PPARG (0.47) PPARGKDM4EALDH1A1TSHRSMN1; SMN2

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 PPARG 433/4885FFAR1 14/4885KDM4E 1421/4885

“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.