SCHEMBL3686331

SCHEMBL3686331

CC(C)(C)OC(=O)CCCNCCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA2 P00918 8/20 0.32
CA1 P00915 7/20 0.32
CA12 O43570 4/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 2/20 0.32
CA7 P43166 2/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 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
SCHEMBL4574574 0.87 KDM4E (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL17911497 0.84 TSHR (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL31226873 0.83 EPHX2 (0.44) TSHREPHX2MAOAMAOBCA2
SCHEMBL849913 0.83 CA12 (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL456890 0.82 TSHR (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL25493115 0.81 KDM4E (0.41) KDM4EALDH1A1LMNATSHREPHX2
SCHEMBL16324327 0.81 ALDH1A1 (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL17911521 0.80 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15284928 0.79 KDM4E (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6342625 0.78 LTA4H (0.38) KDM4EALDH1A1TSHREPHX2MAOA

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 3 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
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 KDM4E 3238/4885USP2 3023/4885ALDH1A1 1050/4885

“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.