SCHEMBL5136845

SCHEMBL5136845

Cc1cccc(OCC[C@H](NC(=O)OC(C)(C)C)C(N)=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
PTGES O14684 4/20 0.41
ALOX5 P09917 4/20 0.41
SCN9A Q15858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
REN P00797 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARD Q03181 1/20 0.38
EPHX2 P34913 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
SCHEMBL5136843 1.00 HTR1B (0.42) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5082511 0.89 EPHX2 (0.42) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5082508 0.89 EPHX2 (0.42) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5082466 0.82 AAK1 (0.46) PPARGPPARASMN1; SMN2RENMAPT
SCHEMBL5082463 0.82 AAK1 (0.46) PPARGPPARASMN1; SMN2RENMAPT
SCHEMBL14381131 0.82 AAK1 (0.46) PPARGPPARASMN1; SMN2RENMAPT
SCHEMBL5607924 0.75 TDP1 (0.45) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5607926 0.75 TDP1 (0.45) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5078460 0.75 HTR1B (0.49) HTR1BPPARGPPARAPTGESALOX5
SCHEMBL5078464 0.75 HTR1B (0.49) HTR1BPPARGPPARAPTGESALOX5

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
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
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
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
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 HTR1B 901/4885PPARG 250/4885PPARA 448/4885

“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.