SCHEMBL5709587

SCHEMBL5709587

CC(C)(C)OC(=O)NC(=O)[C@@](C)(N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
CTSS P25774 5/20 0.35
CTSK P43235 5/20 0.35
TDP1 Q9NUW8 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA7 P43166 2/20 0.33
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
BTK Q06187 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2190733 0.81 TDP1 (0.37) CA1CA2MEN1GAAKMT2A
SCHEMBL30083950 0.76 TDP1 (0.39) CA1CA2MEN1GAAKMT2A
SCHEMBL101218 0.75 DGAT1 (0.46) CA1CA2MEN1GAAKMT2A
SCHEMBL723639 0.73 MEN1 (0.42) CA1CA2MEN1GAAKMT2A
Potassium SCHEMBL29554503 0.73 DGAT1 (0.44) CA1CA2MEN1GAAKMT2A
SCHEMBL1522412 0.73 DGAT1 (0.44) CA1CA2MEN1GAAKMT2A
SCHEMBL6272856 0.73 DGAT1 (0.44) CA1CA2MEN1GAAKMT2A
SCHEMBL16579901 0.72 CA14 (0.41) CA1CA2MEN1GAAKMT2A
SCHEMBL19500078 0.72 L3MBTL1 (0.38) CA1CA2MEN1GAAKMT2A
Chloromethane SCHEMBL28895816 0.72 MEN1 (0.41) CA1CA2MEN1GAAKMT2A

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 46 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
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO 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
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
US-6403648-B2 RENIN INHIBITOR G. D. SEARLE & CO. 2002-06-11 US disclosed
US-20010011101-A1 Alkylaminoalkyl-sulfonyl-terminated Beta-alanineamide amino-diol compounds for treatment of hypertension HANSON GUNNAR J (US) 2001-08-02 US disclosed
US-5968984-A Alkylaminoalkyl-sulfonyl-terminated β-alanineamide amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
US-5432201-A Alkylaminoalkyl-sulfonyl-terminated β-alanineamide amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-07-11 US disclosed
EP-0431520-A2 Heterocyclic acyl aminodiol beta-amino acid derivatives G.D. Searle & Co. (US) 1991-06-12 EP disclosed
EP-0355331-A2 Poly(aminoalkyl)aminocarbonyl aminoacyl aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-02-28 EP disclosed
US-4902706-A Aminoalkylaminocarbonyl aminodiol amino acid derivatives as antihypertensive agents G. D. SEARLE & CO. (US) 1990-02-20 US disclosed
US-4900746-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1990-02-13 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
WO-1990000052-A1 POLY(AMINOALKYL)AMINOCARBONYL 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

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-20010011101-A1 Alkylaminoalkyl-sulfonyl-terminated Beta-alanineamide amino-diol compounds for treatment of hypertension REN, AGTR1, AGT CA1 1765/4885CA2 569/4885MEN1 3554/4885
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP CA1 105/4885CA2 2648/4885MEN1 2310/4885

“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.