SCHEMBL5404763

SCHEMBL5404763

CC(C[O])C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
PTGS2 P35354 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ECE1 P42892 2/20 0.52
MME P08473 6/20 0.50
ACE P12821 4/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
EGLN1 Q9GZT9 2/20 0.40
APEX1 P27695 1/20 0.39
CTH P32929 1/20 0.37
FAAH O00519 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36

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
SCHEMBL22652505 0.84 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11206050 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11206052 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL232608 0.82 MME (0.60) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL1642433 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL23408865 0.80 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL21401135 0.80 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL9068729 0.80 ALDH1A1 (0.63) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL19844614 0.80 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29320150 0.80 ALDH1A1 (0.63) ALDH1A1MAPTLMNAPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885MAPT 4857/4885LMNA 2441/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885MAPT 4857/4885LMNA 2441/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885MAPT 4867/4885LMNA 2817/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R ALDH1A1 705/4885MAPT 4861/4885LMNA 2440/4885

“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.