SCHEMBL1747758

SCHEMBL1747758

C[C@H](N)C(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SLC15A1 P46059 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 1/20 0.47
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL8694600 1.00 ALDH1A1 (0.53) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8649093 0.98 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL7421478 0.87 SLC15A1 (0.56) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL2135198 0.86 ALDH1A1 (0.60) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL313062 0.86 ALDH1A1 (0.60) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL728752 0.86 ALDH1A1 (0.60) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL10870099 0.86 ALDH1A1 (0.49) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL27677759 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7460011 0.84 ANPEP (0.48) ALDH1A1SLC15A1SLC1A1
SCHEMBL6864986 0.84 ANPEP (0.48) ALDH1A1SLC15A1SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646015-B1 ACTIVE ENANTIOMER OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE FERRING INT CENTER SA (CH) 2020-04-22 EP disclosed
EP-1534334-B1 RELEASABLE POLYMERIC CONJUGATES BASED ON ALIPHATIC BIODEGRADABLE LINKERS BELROSE PHARMA INC (US) 2014-06-25 EP disclosed
US-20130267562-A1 ACTIVE ENANTIOMER OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NEXMED HOLDINGS, INC (US) 2013-10-10 US disclosed
EP-2646015-A2 ACTIVE ENANTIOMER OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NexMed Holdings, Inc. (US) 2013-10-09 EP disclosed
CN-103073618-A Preparation method for benzyloxycarbonyl alanyl alanine GL BIOCHEM SHANGHAI LTD 2013-05-01 CN disclosed
WO-2012075107-A2 ACTIVE ENANTIOMER OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NEXMED HOLDINGS, INC. (US) 2012-06-07 WO disclosed
EP-2338513-A2 Releasable polymeric conjugates based on aliphatic biodegradable linkers ENZON, INC. (US) 2011-06-29 EP disclosed
US-7897647-B2 Useful in extending the in vivo circulating life of biologically active materials; bicine linker allows for the manipulation of the hydrolysis rate of the prodrug, thereby releasing the native entities at various rates in vivo as well as in vitro ENZON PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
EP-1534334-A4 RELEASABLE POLYMERIC CONJUGATES BASED ON ALIPHATIC BIODEGRADABLE LINKERS ENZON INC (US) 2008-04-16 EP disclosed
US-20060286065-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers BELROSE PHARMA INC. 2006-12-21 US disclosed
US-5461176-A Reacting alanine methyl ester with oxalyl chloride, treating with ammonia in methanol, reducing amides with diborane in tetrahydrofuran, neutralizing with sodium ethoxide to yield free amine THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-10-24 US disclosed
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
US-5329048-A Reaction of tert-butyloxycarbonylaniline with 1,1' carbonyl diimidazole then ethylenediamine, then acidification to remove tert-butyloxycarbonyl THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1994-07-12 US disclosed
EP-0577753-A1 BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-01-12 EP disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
US-5206249-A Diastereoisomers; enantiomorphs; antitumor agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-27 US disclosed
WO-1992017453-A1 BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-10-15 WO disclosed
EP-0506008-A1 Bis-naphthalimides containing amino-acid derived linkers as anticancer agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-30 EP disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed
US-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 US 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-20130267562-A1 ACTIVE ENANTIOMER OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE DBI, SLC34A2, PDAP1 ALDH1A1 1823/4885SLC15A1 148/4885KMT2A 4494/4885
US-20060286065-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers CD44, PAICS, PCBP1 ALDH1A1 646/4885SLC15A1 1439/4885KMT2A 2311/4885

“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.