SCHEMBL4673737

SCHEMBL4673737

COCc1cc(OCC(=O)OC)c(C)cc1SC#N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HMGCR P04035 1/20 0.40
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AR P10275 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL4680002 0.90 HMGCR (0.44) LMNAHMGCRKDM4EPOLBSMN1; SMN2
SCHEMBL4674073 0.85 LMNA (0.45) LMNAHMGCRKDM4EPOLBSMN1; SMN2
SCHEMBL4676960 0.83 LMNA (0.43) LMNAHMGCRKDM4EPOLBHTT
SCHEMBL14102486 0.82 TAAR1 (0.39) KDM4ESMN1; SMN2HTTGAAALDH1A1
SCHEMBL4680278 0.82 LMNA (0.42) LMNAHMGCRKDM4EPOLBHTT
SCHEMBL4677857 0.82 LMNA (0.42) LMNAHMGCRKDM4EPOLBHTT
SCHEMBL4673430 0.82 LMNA (0.56) LMNAKDM4ESMN1; SMN2HTTGAA
SCHEMBL4674262 0.81 LMNA (0.41) LMNAHMGCRKDM4EPOLBSMN1; SMN2
SCHEMBL7998684 0.80 LMNA (0.40) LMNAHMGCRKDM4EPOLBHTT
SCHEMBL4673132 0.79 HMGCR (0.46) LMNAHMGCRKDM4EPOLBSMN1; 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 5 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-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 LMNA 1479/4885HMGCR 75/4885KDM4E 2048/4885

“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.