SCHEMBL3159704

SCHEMBL3159704

CCOC(=O)c1cnc(-c2ccccc2C)nc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 2/20 0.50
POLB P06746 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5125304 0.87 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL3164274 0.86 ALDH1A1 (0.80) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL12929430 0.86 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4849077 0.84 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL12929448 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL12929620 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL12929723 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL11780861 0.82 NR1H4 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL6877246 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL3159422 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010339-B Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO 2011-11-09 CN disclosed
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-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-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-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
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
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
CN-101010339-A Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2007-08-01 CN 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
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 (2 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 4630/4885KDM4E 2660/4885SMN1; SMN2 1573/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP ALDH1A1 4722/4885KDM4E 2835/4885SMN1; SMN2 1775/4885

“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.