SCHEMBL3683474

SCHEMBL3683474

CCOC(=O)C(C)(C)n1ccc2cc(C#CCO)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ACACB O00763 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
CNR2 P34972 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL13509430 0.79 CA12 (0.41) CYP4F2CYP4A11MAPTTDP1CYP1A2
SCHEMBL3684576 0.79 CA12 (0.40) CYP4F2CYP4A11MAOAMAOBMAPT
SCHEMBL3680707 0.78 CYP4F2 (0.36) CYP4F2CYP4A11MAOAMAOBGABRA1
SCHEMBL3686103 0.77 ACACB (0.38) MELKACACBMAOAMAOBGRIK1
SCHEMBL3688215 0.75 CYP4A11 (0.46) CYP4F2CYP4A11CYP1A2CYP3A4PPARA
SCHEMBL3689063 0.72 MCL1 (0.39) MAOAMAOBMAPTTDP1ABCB11
SCHEMBL3688371 0.70 SRD5A2 (0.51) MAOBALDH1A1PPARA
SCHEMBL6110341 0.69 PPARA (0.49) MAPTPPARA
SCHEMBL6110340 0.69 PPARA (0.49) MAPTPPARA
SCHEMBL3686011 0.69 ITGB3 (0.38) MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG MELK 1688/4885CYP4F2 451/4885CYP4A11 144/4885

“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.