SCHEMBL5082463

SCHEMBL5082463

Cc1ccc(OCCC(NC(=O)OC(C)(C)C)C(N)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
GAA P10253 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL14381131 1.00 AAK1 (0.46) AAK1SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5082466 1.00 AAK1 (0.46) AAK1SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5608151 0.90 PPARA (0.47) AAK1SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL14381130 0.82 TACR1 (0.49) AAK1SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5136845 0.82 HTR1B (0.42) SMN1; SMN2MAPTALDH1A1L3MBTL1PPARG
SCHEMBL5136843 0.82 HTR1B (0.42) SMN1; SMN2MAPTALDH1A1L3MBTL1PPARG
SCHEMBL5607835 0.78 KDM4E (0.47) AAK1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL21601437 0.77 HPGD (0.55) AAK1SMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL19033721 0.76 CTSK (0.54) ALDH1A1PPARGPPARATSHRREN
SCHEMBL22116003 0.75 AAK1 (0.62) AAK1SMN1; SMN2MAPTALDH1A1L3MBTL1

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 AAK1 979/4885SMN1; SMN2 1582/4885MAPT 4761/4885

“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.