SCHEMBL5904662

SCHEMBL5904662

CCOC(=O)COc1ccc(SCc2cnn(-c3ccccc3)c2C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARA Q07869 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL5904685 0.91 PPARD (0.51) PPARDPPARA
SCHEMBL5904652 0.79 PPARD (0.56) PPARDPPARA
SCHEMBL3965577 0.77 PPARD (0.48) PPARDPPARA
SCHEMBL5326801 0.74 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL5974797 0.72 ESR1 (0.55) ALDH1A1HPGDSMN1; SMN2PPARDMEN1
SCHEMBL5904778 0.72 PPARD (0.50) PTGDR2PPARDPPARA
SCHEMBL12059023 0.71 ESR1 (0.54) ALDH1A1HPGDSMN1; SMN2PPARDMEN1
SCHEMBL10328279 0.71 PPARD (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL3239620 0.71 PPARD (0.48) ALDH1A1HPGDPPARDMEN1KMT2A
SCHEMBL27233336 0.70 PPARD (0.47) PTGDR2ALDH1A1NPC1RAB9AMAPT

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-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO 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-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD PTGDR2 273/4885ALDH1A1 899/4885NPC1 1393/4885

“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.