SCHEMBL4200549

SCHEMBL4200549

CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.73
CTSK P43235 5/20 0.73
ATM Q13315 1/20 0.55
CTSL P07711 2/20 0.54
CTSB P07858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GPR88 Q9GZN0 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL4200553 1.00 CTSS (0.73) CTSSCTSKATMCTSLCTSB
SCHEMBL29527526 0.97 CTSS (0.73) CTSSCTSKATMCTSLCTSB
SCHEMBL5558475 0.93 CTSS (0.63) CTSSCTSKATMCTSLCTSB
SCHEMBL5041445 0.89 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL5041450 0.89 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL11481763 0.86 CTSS (0.57) CTSSCTSKATMCTSLCA1
SCHEMBL11388207 0.85 CTSS (0.74) CTSSCTSKATMCTSLCTSB
SCHEMBL7102367 0.85 ATM (0.59) CTSSCTSKATMCTSLCTSB
SCHEMBL28652947 0.84 CTSS (0.77) CTSSCTSKCTSLCTSBGPR88
SCHEMBL4476718 0.84 CTSS (0.73) CTSSCTSKCTSLCTSBGPR88

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
US-7482368-B2 Triamide-substituted heterobicyclic compounds PFIZER INC (US) 2009-01-27 US disclosed
EP-1404653-B1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PROD INC (US) 2008-08-20 EP disclosed
US-7348355-B2 Treating obesity with the Microsomal triglyceride transfer protein inhibitor (S) N-{2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxamide and another lipid lowering agent such as a statin or fibrate PFIZER INC. (US) 2008-03-25 US disclosed
US-20060194772-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2006-08-31 US disclosed
US-20050288335-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-12-29 US disclosed
US-6979692-B2 such as (S)-1-ethyl-5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]amide; for treatment of obesity and lipid disorders; diabetes PFIZER INC. (US) 2005-12-27 US disclosed
US-6949572-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2005-09-27 US disclosed
US-20050080108-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-04-14 US disclosed
US-20040087625-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2004-05-06 US disclosed
US-6720351-B2 1H-INDOLE-2-CARBOXYLIC ACID (2-(BENZYL(METHYL)AMINO) -2-OXO-1-PHENYLETHYL)AMIDES; TRIAMIDE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) INHIBITORS; OBESITY; ANTILIPEMIC AGENTS PFIZER INC. 2004-04-13 US disclosed
EP-1404653-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 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 (5 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-20060194772-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CTSS 1652/4885CTSK 3192/4885ATM 2840/4885
US-20040087625-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CTSS 1278/4885CTSK 2529/4885ATM 3522/4885
US-20050288335-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CTSS 1652/4885CTSK 3192/4885ATM 2840/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CTSS 1278/4885CTSK 2529/4885ATM 3522/4885
US-20050080108-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CTSS 1759/4885CTSK 3357/4885ATM 2809/4885

“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.