SCHEMBL6844216

SCHEMBL6844216

C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 16/20 0.47
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 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
SCHEMBL7297295 0.87 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL8536013 0.86 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL6448979 0.86 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL9848334 0.86 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL7329863 0.85 REN (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.85 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7265165 0.84 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7311911 0.84 REN (0.57) CTSSCTSKREN
SCHEMBL7272241 0.83 REN (0.58) CTSSCTSKREN
SCHEMBL7266599 0.83 REN (0.58) CTSSCTSKREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220272-A1 Propargyl glycine amino propargyl diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-11-04 US disclosed
US-6777572-B2 PROPARGYL GLYCINE AMINO PROPARGYL DIOL DERIVATIVES ARE USEFUL AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION. PHARMACIA CORPORATION (OF PFIZER INC.) 2004-08-17 US disclosed
US-6667414-B2 Renin inhibitors; hypertensive agents PHARMACIA CORPORATION 2003-12-23 US disclosed
US-20030144542-A1 Use of propargyl glycine amino propargyl diol compounds for treatment of renal failure HANSON GUNNAR J (US) 2003-07-31 US disclosed
US-20030135066-A1 Use of propargyl glycine amino propargyl diol compounds for treatment of congestive heart failure HANSON GUNNAR J (US) 2003-07-17 US disclosed
US-20030130522-A1 Use of propargyl glycine amino propargyl diol compounds for prevention of hypertension HANSON GUNNAR J (US) 2003-07-10 US disclosed
US-6342624-B1 INHIBITION OF ENZYMES WITH PEPTIDES G. D. SEARLE & CO. 2002-01-29 US disclosed
US-6281235-B1 CONTROL OF HYPERTENSION. G.D. SEARLE & CO. 2001-08-28 US disclosed
US-5508295-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5461074-A Dipropargyl containing aryl/alkyl sulfur/or sulfonyl/or sulfoxide terminated aminodiol compounds are used as renin inhibitor; therpeutical G.D. SEARLE & CO. (US) 1995-10-24 US disclosed
US-5330996-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-07-19 US disclosed
US-5268391-A Cardiovascular disorders C. D. SEARLE & CO. (US) 1993-12-07 US disclosed
US-5246969-A Oligopeptides as renin inhibitors G. D. SEARLE & CO. (US) 1993-09-21 US disclosed
WO-1993009108-A1 AMINO ACYL AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 WO disclosed
WO-1993009086-A1 PROPARGYL GLYCINE AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 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 (4 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-20030144542-A1 Use of propargyl glycine amino propargyl diol compounds for treatment of renal failure REN, AGTR1, GRHPR CTSS 4680/4885CTSK 4052/4885REN 1/4885
US-20040220272-A1 Propargyl glycine amino propargyl diol compounds for treatment of hypertension REN, AGTR1, AGTR2 CTSS 4568/4885CTSK 3991/4885REN 1/4885
US-20030135066-A1 Use of propargyl glycine amino propargyl diol compounds for treatment of congestive heart failure REN, AGTR1, AGTR2 CTSS 4633/4885CTSK 4152/4885REN 1/4885
US-20030130522-A1 Use of propargyl glycine amino propargyl diol compounds for prevention of hypertension REN, AGTR1, GRHPR CTSS 4408/4885CTSK 3877/4885REN 1/4885

“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.