SCHEMBL3156701

SCHEMBL3156701

CCc1cc(OC)ccc1C[C@H](NNC(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
FPR2 P25090 1/20 0.53
CAPN1 P07384 2/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KEAP1 Q14145 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
GAA P10253 1/20 0.46
ADORA2A P29274 1/20 0.45

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
SCHEMBL428265 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15FPR2CAPN1KMT2A
SCHEMBL1702385 0.87 FPR2 (0.55) ALDH1A1ALOX15FPR2KMT2APPARG
SCHEMBL1395877 0.84 FPR2 (0.67) ALDH1A1ALOX15FPR2KMT2APPARG
SCHEMBL1702272 0.83 PPARG (0.47) ALDH1A1ALOX15PPARGPPARAKEAP1
SCHEMBL5080118 0.82 CAPN1 (0.40) ALDH1A1ALOX15FPR2CAPN1KMT2A
SCHEMBL5215651 0.78 ALDH1A1 (0.67) ALDH1A1ALOX15FPR2KMT2AGAA
SCHEMBL7390734 0.78 ALDH1A1 (0.67) ALDH1A1ALOX15FPR2KMT2AGAA
SCHEMBL2003954 0.78 ITGA4 (0.41) ALDH1A1ALOX15FPR2CAPN1KMT2A
SCHEMBL157547 0.76 MME (0.61) NPSR1MMP2MMP9
SCHEMBL20232564 0.76 HSD17B10 (0.46) POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US disclosed
EP-2021014-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 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 (4 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-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP ALDH1A1 4630/4885ALOX15 2813/4885FPR2 588/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP ALDH1A1 4722/4885ALOX15 2620/4885FPR2 445/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR ALDH1A1 3692/4885ALOX15 3125/4885FPR2 1032/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR ALDH1A1 3692/4885ALOX15 3125/4885FPR2 1032/4885

“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.