SCHEMBL3680707

SCHEMBL3680707

CCOC(=O)C(C)(C)n1ccc2cc(I)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
AR P10275 1/20 0.35
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
KRAS P01116 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL3684576 0.85 CA12 (0.40) CYP4F2CYP4A11CYP1A2TSHRMAOA
SCHEMBL13509430 0.83 CA12 (0.41) CYP4F2CYP4A11CYP1A2CYP3A4PPARA
SCHEMBL3688215 0.79 CYP4A11 (0.46) CYP4F2CYP4A11CYP1A2CYP3A4PPARA
SCHEMBL3683474 0.78 MELK (0.35) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL3689063 0.78 MCL1 (0.39) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL10323395 0.77 LPO (0.43) CYP1A2GABRA2KRASGABRA1GABRG2
SCHEMBL3688371 0.76 SRD5A2 (0.51) PPARAMAOB
SCHEMBL3686011 0.74 ITGB3 (0.38) PPARA
SCHEMBL3687317 0.74 S1PR1 (0.41) CYP4F2CYP4A11CYP1A2CYP3A4PPARA
SCHEMBL3688516 0.73 TSHR (0.37) CYP1A2TSHRKRAS

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
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
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

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 CYP4F2 451/4885CYP4A11 144/4885AR 369/4885

“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.