SCHEMBL13760112

SCHEMBL13760112

CCc1ccc(C(=O)NC(O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
PLK1 P53350 1/20 0.58
ALDH1A1 P00352 8/20 0.54
LMNA P02545 5/20 0.54
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAOK1 Q7L7X3 2/20 0.46
TAOK3 Q9H2K8 2/20 0.46
GAA P10253 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
AGTR1 P30556 1/20 0.45
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 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
SCHEMBL5858248 0.84 TAS1R3 (0.63) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL13760111 0.83 L3MBTL1 (0.60) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL14380335 0.80 TAS1R3 (0.67) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL12983773 0.80 CA2 (0.61) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL16285365 0.80 NPSR1 (0.67) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL12983772 0.80 CA2 (0.61) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL5490327 0.80 NPSR1 (0.55) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL715465 0.77 SLC1A2 (0.56) ALDH1A1LMNAGAAHPGDSMN1; SMN2
SCHEMBL15819414 0.77 HDAC1 (0.52) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL14459750 0.77 TAS1R3 (0.73) TAS1R3TAS1R1PLK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US 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-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR TAS1R3 683/4885TAS1R1 681/4885PLK1 4080/4885

“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.