SCHEMBL4738634

SCHEMBL4738634

NC[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CPA1 P15085 7/20 0.66
CPA3 P15088 3/20 0.66
FOLH1 Q04609 3/20 0.66
CPB1 P15086 1/20 0.66
CPB2 Q96IY4 1/20 0.66
SLC1A3 P43003 1/20 0.65
SLC1A2 P43004 1/20 0.65
SLC1A1 P43005 1/20 0.65
ANPEP P15144 1/20 0.61
ERAP2 Q6P179 1/20 0.61
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
MME P08473 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL5171909 1.00 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL558159 1.00 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
Hydrochloric Acid SCHEMBL23699291 0.98 CYP1A2 (0.73) CYP1A2CPA1CPA3FOLH1CPB1
Ethyl Chloride SCHEMBL1185929 0.91 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6532060 0.89 CYP1A2 (0.60) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.87 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL19532713 0.86 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6609906 0.86 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7353741 0.86 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-213886139-U Equipment for producing (S) -3-amino-2-benzyl propionic acid 苏州山青竹生物医药有限公司 2021-08-06 CN disclosed
WO-2018156892-A1 PEPTIDE INHIBITORS OF TRANSCRIPTION FACTOR AGGREGATION ADRX, INC. (US) 2018-08-30 WO disclosed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 WO disclosed
CN-1926241-A Process for preparing enantiomerically enriched beta-2-amino acids using enzymes DSM IP ASSETS BV (NL) 2007-03-07 CN disclosed
EP-1745137-A1 ENZYMATIC PREPARATION OF AN ENANTIOMERICALLY ENRICHED BETA-2-AMINO ACIDS DSMIP Assets B.V. (NL) 2007-01-24 EP disclosed
WO-2005085462-A1 ENZYMATIC PREPARATION OF AN ENANTIOMERICALLY ENRICHED BETA-2-AMINO ACIDS DSM IP ASSETS B.V. (NL) 2005-09-15 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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP CYP1A2 4835/4885CPA1 41/4885CPA3 112/4885

“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.