SCHEMBL4677396

SCHEMBL4677396

CCOC(=O)CCC(C)(C)c1ccc(S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
POLB P06746 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36
ESR1 P03372 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN1 P18031 1/20 0.35
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 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
SCHEMBL3486832 0.87 CNR1 (0.47) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL1809731 0.84 GRIN2D (0.49) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL1831814 0.84 KMT2A (0.45) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3486385 0.83 POLB (0.44) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3485782 0.82 SMN1; SMN2 (0.41) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL4677964 0.80 KMT2A (0.41) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL6086541 0.77 CNR1 (0.47) CNR1CNR2ESR1
SCHEMBL17276104 0.75 CNR1 (0.43) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3537131 0.74 CNR2 (0.44) CNR1CNR2MAPT
SCHEMBL13083138 0.73 CYP4F2 (0.72) CYP4F2CYP4A11LMNAMAPT

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 CNR1 262/4885CNR2 243/4885POLB 3400/4885

“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.