Sugi Predict

Sugi Predict / Compounds / SCHEMBL6007172

SCHEMBL6007172

SCHEMBL6007172

CCCCc1nc(C(CC)NC(=O)OC(C)(C)C)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ CTSK P43235 10/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTPRB P23467 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6006605 0.74 LMNA (0.44) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL6007018 0.72 NPSR1 (0.44) TSHRALDH1A1LMNACA1CA2
SCHEMBL6004545 0.72 NPSR1 (0.44) TSHRALDH1A1LMNACA1CA2
SCHEMBL6006801 0.71 LMNA (0.43) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL15764418 0.69 CA1 (0.38) TSHRCTSKALDH1A1PTPRBLMNA
SCHEMBL29168266 0.67 ALDH1A1 (0.40) TSHRCTSKALDH1A1L3MBTL1PTPRB
SCHEMBL30133703 0.67 ALDH1A1 (0.40) TSHRCTSKALDH1A1L3MBTL1PTPRB
SCHEMBL29168235 0.67 ALDH1A1 (0.40) TSHRCTSKALDH1A1L3MBTL1PTPRB
SCHEMBL5531684 0.67 MAPK1 (0.39) TSHRCTSKALDH1A1L3MBTL1PTPRB
SCHEMBL6008058 0.66 ALPL (0.38) TSHRCTSKALDH1A1L3MBTL1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 — — US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 — — US disclosed
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO. 2004-06-24 — — US disclosed
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 — — US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 — — 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-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 TSHR 1498/4885CTSK 1451/4885ALDH1A1 77/4885
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 TSHR 1491/4885CTSK 1846/4885ALDH1A1 79/4885

“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.