SCHEMBL13899429

SCHEMBL13899429

Cc1cc(OCc2nnc(-c3ccc(F)cc3)o2)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.51
PPARA Q07869 9/20 0.51
POLB P06746 6/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL13899419 0.91 PPARD (0.63) PPARDPPARAPOLBTP53
SCHEMBL13899399 0.90 POLB (0.42) PPARDPPARAPOLBTP53MEN1
SCHEMBL13899423 0.81 PPARD (0.51) PPARDPPARAPOLBTP53
SCHEMBL13899187 0.79 PPARD (0.58) PPARDPPARA
SCHEMBL12171338 0.74 NR1H4 (0.57) PPARDPOLBTP53MEN1KMT2A
SCHEMBL5829509 0.73 PPARD (0.69) PPARDPPARAMAPTTSHR
SCHEMBL5829141 0.72 PPARA (0.59) PPARDPPARAMAPTTSHR
SCHEMBL6695581 0.72 PPARA (0.79) PPARDPPARA
SCHEMBL5105423 0.72 PPARA (0.78) PPARDPPARA
SCHEMBL13899364 0.72 PPARD (0.51) PPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US 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-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885POLB 3096/4885

“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.