Sugi Predict

Sugi Predict / Compounds / SCHEMBL13760116

SCHEMBL13760116

SCHEMBL13760116

C/C=C/c1ccc(C(=O)NCC(O)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ CYP24A1 Q07973 6/20 0.41
▸ GCGR P47871 2/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ GIPR P48546 1/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37

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
SCHEMBL2647552 0.83 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2HDAC1CYP24A1
SCHEMBL2647548 0.83 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2HDAC1CYP24A1
Benzene SCHEMBL8722272 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL7096522 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL12326089 0.77 PLK1 (0.54) NPC1RAB9ASMN1; SMN2GCGRALDH1A1
SCHEMBL13760114 0.76 CA1 (0.54) NPC1RAB9ASMN1; SMN2HDAC1HDAC2
SCHEMBL27941683 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HDAC1MLYCD
SCHEMBL22708463 0.72 ALDH1A1 (0.57) SMN1; SMN2HDAC1ALDH1A1HPGDHDAC6
SCHEMBL28735526 0.72 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2HDAC1MLYCD
SCHEMBL2647793 0.71 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2CYP24A1MLYCD

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 NPC1 2221/4885RAB9A 4165/4885SMN1; SMN2 4214/4885

“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.