SCHEMBL5709671

SCHEMBL5709671

CC(C)C[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.59
PSEN2 P49810 5/20 0.59
APH1B Q8WW43 5/20 0.59
NCSTN Q92542 5/20 0.59
APH1A Q96BI3 5/20 0.59
PSENEN Q9NZ42 5/20 0.59
KLK5 Q9Y337 2/20 0.59
APP P05067 1/20 0.58
REN P00797 7/20 0.54
ATM Q13315 1/20 0.52
CTSS P25774 1/20 0.50

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
SCHEMBL9282508 1.00 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL892964 0.89 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7173287 0.89 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8532202 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6445261 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6445320 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6444857 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8534875 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9848360 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270592 0.88 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP claimed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US claimed
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US disclosed
US-20040192780-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-09-30 US disclosed
US-20040087801-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-05-06 US disclosed
US-20030236201-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G.D. SEARLE & CO. 2003-12-25 US disclosed
US-6515025-B2 Renin inhibitor PHARMACIA CORPORATION 2003-02-04 US disclosed
US-20020115867-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension HANSON GUNNAR J (US) 2002-08-22 US disclosed
US-6403648-B2 RENIN INHIBITOR G. D. SEARLE & CO. 2002-06-11 US disclosed
US-20020025934-A1 Ethynyl alanine amino diol compounds for treatment of hypertension G.D. SEARLE & CO. (US) 2002-02-28 US disclosed
WO-1990000050-A1 AMINOALKYLAMINOCARBONYL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 WO disclosed
WO-1990000051-A1 ETHEREAL N-TERMINAL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 WO disclosed
EP-0349922-A2 Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 EP disclosed
EP-0349921-A2 Etheral n-terminal aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 EP disclosed
US-4877785-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1989-10-31 US disclosed
EP-0310072-A2 Non-peptidyl beta-succinamidoacyl aminodiols as anti-hypertensive agents G.D. Searle & Co. (US) 1989-04-05 EP disclosed
EP-0310071-A2 Non-peptidyl alpha-aminoacyl aminodiol carbamates as anti-hypertensive agents G.D. Searle & Co. (US) 1989-04-05 EP disclosed
EP-0310070-A2 Alpha-aminoacyl beta-aminoacyl aminodiols as anti-hypertensive agents G.D. Searle & Co. (US) 1989-04-05 EP disclosed
EP-0310073-A2 Non-peptidyl beta-aminoacyl aminodiol carbamates as anti-hypertensive agents G.D. Searle & Co. (US) 1989-04-05 EP 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 (6 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-20040087801-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGTR2 PSEN1 4807/4885PSEN2 4834/4885APH1B 3432/4885
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP PSEN1 5/4885PSEN2 6/4885APH1B 12/4885
US-20020025934-A1 Ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGT PSEN1 4371/4885PSEN2 4504/4885APH1B 4043/4885
US-20030236201-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension REN, AGTR1, AGTR2 PSEN1 4752/4885PSEN2 4775/4885APH1B 3405/4885
US-20020115867-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGT, AGTR1 PSEN1 4864/4885PSEN2 4851/4885APH1B 3782/4885
US-20040192780-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension REN, AGTR1, AGTR2 PSEN1 4752/4885PSEN2 4775/4885APH1B 3405/4885

“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.