SCHEMBL3689063

SCHEMBL3689063

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
BCL2 P10415 3/20 0.37
PPARG P37231 4/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 2/20 0.35
FBP1 P09467 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3686011 0.84 ITGB3 (0.38) MCL1KMT2AMAPTBCL2PPARA
SCHEMBL6110341 0.82 PPARA (0.49) MCL1KMT2AMAPTBCL2PPARG
SCHEMBL6110340 0.82 PPARA (0.49) MCL1KMT2AMAPTBCL2PPARG
SCHEMBL3688371 0.82 SRD5A2 (0.51) MCL1KMT2ABCL2MAOBPPARA
SCHEMBL4477471 0.80 CA12 (0.42) MCL1KMT2AMAPTPPARGMAOB
SCHEMBL3684576 0.79 CA12 (0.40) KMT2AMAPTHPGDMAOAMAOB
SCHEMBL3680707 0.78 CYP4F2 (0.36) MAOAMAOBPPARAABCB11CYP1A2
SCHEMBL13509430 0.77 CA12 (0.41) KMT2AMAPTPPARGHPGDPPARA
SCHEMBL3688215 0.73 CYP4A11 (0.46) PPARGPPARACYP1A2CYP3A4KDM4E
SCHEMBL3683474 0.72 MELK (0.35) MAPTMAOAMAOBPPARAABCB11

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
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
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 MCL1 4406/4885KMT2A 2003/4885MAPT 3428/4885

“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.