SCHEMBL5697642

SCHEMBL5697642

CCCCOC(=O)CC(N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 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
SCHEMBL5720836 1.00 TSHR (0.49) TSHRTDP1L3MBTL1LMNANPC1
SCHEMBL1138690 0.91 LMNA (0.49) LMNASMN1; SMN2KMT2AALDH1A1CHRM2
SCHEMBL5720971 0.91 LMNA (0.49) LMNASMN1; SMN2KMT2AALDH1A1CHRM2
SCHEMBL27682265 0.91 LMNA (0.49) LMNASMN1; SMN2KMT2AALDH1A1CHRM2
SCHEMBL5720898 0.87 SMN1; SMN2 (0.45) TSHRTDP1L3MBTL1LMNANPC1
SCHEMBL23191566 0.86 TSHR (0.53) TSHRTDP1L3MBTL1LMNANPC1
SCHEMBL5720835 0.85 L3MBTL1 (0.48) TSHRTDP1L3MBTL1LMNANPC1
SCHEMBL5720923 0.85 SLC2A1 (0.43) TSHRTDP1L3MBTL1LMNANPC1
SCHEMBL5720899 0.85 FAAH (0.48) L3MBTL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5720925 0.85 FAAH (0.47) TSHRTDP1L3MBTL1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1361279-B1 Method for enzymatic production of enantiomerically enriched beta amino acids DEGUSSA (DE) 2006-07-05 EP disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
US-6987010-B2 Process for the enzymatic preparation of enantiomer-enriched β-amino acids DEGUSSA AG (DE) 2006-01-17 US disclosed
US-20050142646-A1 Process for the enzymatic preparation of enantiomer-enriched beta-amino acids DEGUSSA AG 2005-06-30 US disclosed
US-6869781-B2 Process for the enzymatic preparation of enantiomer-enriched β-amino acids DEGUSSA AG (DE) 2005-03-22 US disclosed
US-20040029236-A1 Process for the enzymatic preparation of enantiomer-enriched beta-amino acids DEGUSSA AG 2004-02-12 US disclosed
EP-1361279-A1 Method for enzymatic production of enantiomerically enriched beta amino acids Degussa AG (DE) 2003-11-12 EP disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
EP-0843967-B1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA SRL (IT) 2000-04-05 EP disclosed
US-5856311-A Derivatives of β-aminopropionic acid with a fungicidal activity ISAGRO RICERCA SRL (IT) 1999-01-05 US disclosed
EP-0843967-A1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA S.r.l. (IT) 1998-05-27 EP disclosed
EP-0718280-A2 Derivatives of beta-aminopropionic acid with a fungicidal activity ISAGRO RICERCA S.r.l. (IT) 1996-06-26 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 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 (1 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 TSHR 800/4885TDP1 4084/4885L3MBTL1 3001/4885

“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.