SCHEMBL3683044

SCHEMBL3683044

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MCL1 Q07820 3/20 0.39
PPARG P37231 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NR1H2 P55055 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL3689963 0.85 ITGB3 (0.40) NPSR1AKR1C3AKR1C2MCL1PPARG
SCHEMBL3688245 0.83 LMNA (0.54) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL3687718 0.81 CA12 (0.47) TP53KMT2AITGB3ITGAVMEN1
SCHEMBL13509571 0.80 CA12 (0.41) NPSR1TP53KMT2AMEN1MAPT
SCHEMBL6108493 0.80 HTT (0.41) NPSR1PPARGTP53KMT2AMEN1
SCHEMBL3681424 0.80 GAA (0.40) SMN1; SMN2KMT2AMEN1MAPTTSHR
SCHEMBL3688516 0.79 TSHR (0.37) TP53KMT2ATSHR
SCHEMBL16627489 0.79 FPR2 (0.45) MCL1SMN1; SMN2TSHRALDH1A1SLC6A2
SCHEMBL3685329 0.79 CYP4A11 (0.44) TP53KMT2AITGB3ITGAVTSHR
SCHEMBL2494146 0.79 ITGB3 (0.51) KMT2AITGB3ITGAVMAPTSLC6A2

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 NPSR1 466/4885AKR1C3 924/4885AKR1C2 421/4885

“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.