SCHEMBL4680002

SCHEMBL4680002

CCc1cc(OCC(=O)OC)c(C)cc1SC#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4673737 0.90 LMNA (0.40) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4674073 0.87 LMNA (0.45) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4676960 0.85 LMNA (0.43) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4677857 0.84 LMNA (0.42) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4673430 0.84 LMNA (0.56) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL4680278 0.84 LMNA (0.42) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4674262 0.83 LMNA (0.41) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL7998684 0.82 LMNA (0.40) HMGCRLMNAALDH1A1HPGDKDM4E
SCHEMBL4673465 0.81 LMNA (0.40) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4678609 0.78 HMGCR (0.47) HMGCRLMNAALDH1A1HPGDMAPK1

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 HMGCR 75/4885LMNA 1479/4885ALDH1A1 886/4885

“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.