SCHEMBL6903110

SCHEMBL6903110

CC[C@H](N)CCCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
ENPEP Q07075 3/20 0.64
FFAR4 Q5NUL3 2/20 0.52
FFAR1 O14842 2/20 0.52
AKR1B1 P15121 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL134587 1.00 ALDH1A1 (0.71) ALDH1A1ENPEPFFAR4FFAR1AKR1B1
SCHEMBL3763505 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1883310 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1873589 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1879196 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1881298 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1874205 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1879117 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1873944 0.98 ALDH1A1 (0.75) ALDH1A1ENPEPFFAR4FFAR1GPR84
Hydrochloric Acid SCHEMBL1232665 0.98 ALDH1A1 (0.69) ALDH1A1ENPEPFFAR4FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063960-A1 Process of preparing 3S-3-amino-3-aryl propionic acid and derivatives thereof SCOTT LORRAINE (US) 2004-04-01 US disclosed
US-20040063960-A1 Process of preparing 3S-3-amino-3-aryl propionic acid and derivatives thereof SCOTT LORRAINE (US) 2004-04-01 US disclosed
US-20040063960-A1 Process of preparing 3S-3-amino-3-aryl propionic acid and derivatives thereof SCOTT LORRAINE (US) 2004-04-01 US disclosed
US-6673926-B2 SUCH AS 3-((TERT-BUTOXY)CARBONYL)AMINO-3-(3'-PYRIDYL)PROPIONIC ACID; FOR TREATING PLATELET-MEDIATED THROMBOTIC DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-06 US disclosed
US-6673926-B2 SUCH AS 3-((TERT-BUTOXY)CARBONYL)AMINO-3-(3'-PYRIDYL)PROPIONIC ACID; FOR TREATING PLATELET-MEDIATED THROMBOTIC DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-06 US disclosed
US-20030176471-A1 Chemical intermediates SCOTT LORRAINE (US) 2003-09-18 US disclosed
US-20030176471-A1 Chemical intermediates SCOTT LORRAINE (US) 2003-09-18 US disclosed
US-20030176471-A1 Chemical intermediates SCOTT LORRAINE (US) 2003-09-18 US disclosed
CN-1362948-A Preparation method of 3S-3-amino-3-aryl propionic acid and derivatives thereof ORTHO MCNEIL PHARM INC (US) 2002-08-07 CN disclosed
CN-1362948-A Preparation method of 3S-3-amino-3-aryl propionic acid and derivatives thereof ORTHO MCNEIL PHARM INC (US) 2002-08-07 CN disclosed
US-20020068829-A1 Process of preparing 3S-3-amino-3-aryl proprionic acid and derivatives thereof SCOTT LORRAINE (US) 2002-06-06 US disclosed
US-20020068829-A1 Process of preparing 3S-3-amino-3-aryl proprionic acid and derivatives thereof SCOTT LORRAINE (US) 2002-06-06 US disclosed
EP-1163222-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-12-19 EP disclosed
EP-1163222-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-12-19 EP disclosed
WO-2000056715-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 WO disclosed
WO-2000056715-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 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 (3 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-20020068829-A1 Process of preparing 3S-3-amino-3-aryl proprionic acid and derivatives thereof GABRA6, GABRD, GABBR2 ALDH1A1 51/4885ENPEP 1210/4885FFAR4 1692/4885
US-20040063960-A1 Process of preparing 3S-3-amino-3-aryl propionic acid and derivatives thereof AADAT, ALAD, DDC ALDH1A1 213/4885ENPEP 122/4885FFAR4 676/4885
US-20030176471-A1 Chemical intermediates BCAT1, CYP3A43, AADAT ALDH1A1 51/4885ENPEP 373/4885FFAR4 1503/4885

“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.