SCHEMBL4673232

SCHEMBL4673232

COC(=O)COc1c(C(C)C)cc(SC#N)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SRD5A2 P31213 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLRA1 P23415 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL4674675 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL4673748 0.78 LMNA (0.41) ALDH1A1LMNASMN1; SMN2MAPTSRD5A2
SCHEMBL4674262 0.76 LMNA (0.41) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL15517637 0.74 NLRP3 (0.46) SMN1; SMN2
SCHEMBL14102100 0.74 LMNA (0.36) ALDH1A1LMNASMN1; SMN2HSD17B10SRD5A2
SCHEMBL4676860 0.74 LMNA (0.46) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL5510525 0.72 PTGS2 (0.50) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL4676830 0.70 GABRA1 (0.52) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL8175444 0.70 CA2 (0.39) ALDH1A1MAPTHTTPOLB
SCHEMBL5511863 0.69 ALDH1A1 (0.51) ALDH1A1LMNAHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 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-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG ALDH1A1 886/4885LMNA 1479/4885HPGD 626/4885

“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.