SCHEMBL4989405

SCHEMBL4989405

CC(=O)C(C)(OC(C)N)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.31
TSHR P16473 1/20 0.31

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
Oxalic Acid SCHEMBL1052753 0.70 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL12141691 0.69 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL262225 0.67 GAA (0.46) ALDH1A1TSHR
SCHEMBL27709697 0.67 TSHR (0.35) ALDH1A1TSHR
SCHEMBL10643900 0.67 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL11428292 0.65 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1TSHR
Pivalate SCHEMBL4319755 0.64 FFAR3 (0.39) ALDH1A1MAPTPTGS1SLC7A5TSHR
SCHEMBL28515563 0.64 TSHR (0.35) TSHR
SCHEMBL23120329 0.63
Acetic Acid SCHEMBL28627040 0.63 FFAR3 (0.44) SLC7A5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR SLANINA PAVEL 2008-03-20 US disclosed
US-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H 2006-07-27 US disclosed
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H A (NL) 2005-06-23 US disclosed
US-6858738-B2 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON BV (NL) 2005-02-22 US disclosed
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON IP INC. 2003-11-27 US disclosed
US-6653481-B2 Used as calcium channel blockers SYNTHON BV (NL) 2003-11-25 US disclosed
EP-1345901-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR Bioorganics B.V. (NL) 2003-09-24 EP disclosed
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor SYNTHON IP INC. 2002-10-03 US disclosed
WO-2002053535-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR BIOORGANICS B.V. (NL) 2002-07-11 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-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CYP4A11, CYP4F11, CACNA1D ALDH1A1 1591/4885MAPT 957/4885PTGS1 2095/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C ALDH1A1 1269/4885MAPT 3435/4885PTGS1 389/4885
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C ALDH1A1 677/4885MAPT 3498/4885PTGS1 332/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S ALDH1A1 1332/4885MAPT 2410/4885PTGS1 565/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 ALDH1A1 908/4885MAPT 2593/4885PTGS1 882/4885

“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.