SCHEMBL3686993

SCHEMBL3686993

CCCC(N)CCc1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
PPARG P37231 4/20 0.48
FBP1 P09467 5/20 0.46
OPRK1 P41145 1/20 0.43
S1PR1 P21453 4/20 0.42
S1PR2 O95136 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 1/20 0.39

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
SCHEMBL2440481 0.88 PPARA (0.44) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550078 0.81 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.80 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL23582383 0.79 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686839 0.79 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1349983 0.79 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549122 0.78 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12859969 0.78 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.78 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3286612 0.78 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR

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 2 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-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US 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 PPARA 2/4885ABCB11 824/4885CYP1A2 418/4885

“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.