Sugi Predict

Sugi Predict / Compounds / SCHEMBL4081922

SCHEMBL4081922

SCHEMBL4081922

CC(C)(C)C1CCC(C(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(OCCCC(=O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.47
▸ BRAF P15056 4/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ RAF1 P04049 3/20 0.42

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
SCHEMBL4091912 0.85 GCGR (0.45) EPHX2ALDH1A1
SCHEMBL4081488 0.84 GCGR (0.54) SLC6A3CA1CA2CA7CA9
SCHEMBL4094171 0.83 PPARA (0.39) EPHX2ALDH1A1MAPT
SCHEMBL4096742 0.82 UBE2M (0.40) HDAC4MAPTSMN1; SMN2KDR
SCHEMBL2663041 0.79 GCGR (0.60) —
SCHEMBL4082236 0.77 GCGR (0.49) SLC6A3GSK3BCA1CA2CA7
SCHEMBL6191930 0.76 SLC6A3 (0.43) SLC6A3BRAFMAPK14GSK3BCA1
SCHEMBL4095703 0.76 GCGR (0.49) —
SCHEMBL4092369 0.75 GCGR (0.62) —
SCHEMBL2654295 0.73 GCG (0.49) SLC6A3CA1CA2CA7CA9

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
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 — — US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 — — EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 — — US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 — — US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 — — US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 — — 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 (3 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR SLC6A3 1758/4885BRAF 4210/4885MAPK14 1054/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR SLC6A3 1758/4885BRAF 4210/4885MAPK14 1054/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR SLC6A3 1758/4885BRAF 4210/4885MAPK14 1054/4885

“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.