SCHEMBL3686992

SCHEMBL3686992

CCCC(CCN)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 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
FBP1 P09467 8/20 0.46
PPARG P37231 5/20 0.43
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14398599 0.79 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686994 0.78 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL10590453 0.77 PPARA (0.66) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550078 0.76 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL23040068 0.76 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549122 0.76 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8152308 0.75 PPARA (0.47) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3823703 0.75 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686993 0.75 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.75 PPARA (0.76) 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.