SCHEMBL5082508

SCHEMBL5082508

COC(=O)C(CCOc1cccc(C)c1C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
HTR1B P28222 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KLK5 Q9Y337 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CACNA1B Q00975 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK7 P49862 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL5082511 1.00 EPHX2 (0.42) EPHX2HTR1BLMNAMAPTRAB9A
SCHEMBL5136843 0.89 HTR1B (0.42) EPHX2HTR1BLMNAMAPTRAB9A
SCHEMBL5136845 0.89 HTR1B (0.42) EPHX2HTR1BLMNAMAPTRAB9A
SCHEMBL5607924 0.82 TDP1 (0.45) HTR1BLMNAMAPTRAB9AL3MBTL1
SCHEMBL5607926 0.82 TDP1 (0.45) HTR1BLMNAMAPTRAB9AL3MBTL1
SCHEMBL5607835 0.80 KDM4E (0.47) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL3446935 0.80 KLK5 (0.40) EPHX2MAPTPPARGPPARAKLK5
SCHEMBL1834331 0.80 ITGB3 (0.50) LMNAPPARGPPARAKLK5CTSS
SCHEMBL1834332 0.80 ITGB3 (0.50) LMNAPPARGPPARAKLK5CTSS
SCHEMBL12961548 0.77 KLK5 (0.51) EPHX2PPARGPPARAKLK5CTSS

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
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP EPHX2 3665/4885HTR1B 901/4885LMNA 3875/4885

“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.