SCHEMBL6319150

SCHEMBL6319150

CC(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
CYP3A4 P08684 1/20 0.69
CTRB1 P17538 5/20 0.58
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
RPS6KA5 O75582 1/20 0.54
RPS6KA4 O75676 1/20 0.54
PRKACA P17612 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
IRAK1 P51617 1/20 0.54
PRKX P51817 1/20 0.54
PRKG1 Q13976 1/20 0.54
PKN2 Q16513 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
SGK2 Q9HBY8 1/20 0.54
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CTSS P25774 1/20 0.51

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
SCHEMBL2089507 1.00 MAPK1 (0.69) MAPK1CYP3A4CTRB1ROCK2ROCK1
SCHEMBL6529461 1.00 MAPK1 (0.69) MAPK1CYP3A4CTRB1ROCK2ROCK1
SCHEMBL16516337 0.90 ACACB (0.58) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL3134757 0.88 CYP3A4 (0.67) MAPK1CYP3A4CTRB1CTSSCTSK
SCHEMBL3134775 0.88 CYP3A4 (0.67) MAPK1CYP3A4CTRB1CTSSCTSK
SCHEMBL17305286 0.86 HPGD (0.58) MAPK1CYP3A4CTRB1LMNANPC1
SCHEMBL14756047 0.86 HPGD (0.58) MAPK1CYP3A4CTRB1LMNANPC1
SCHEMBL27904479 0.86 HPGD (0.58) MAPK1CYP3A4CTRB1LMNANPC1
SCHEMBL3897966 0.85 MAPK1 (0.68) MAPK1CYP3A4CTRB1ROCK2ROCK1
SCHEMBL2973301 0.85 MAPK1 (0.68) MAPK1CYP3A4CTRB1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120131737-A Composition for improving immunity based on astragalus natural ingredients and preparation method thereof 蔓泰(北京)健康科技有限责任公司 2025-06-13 CN claimed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US claimed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO claimed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US claimed
CN-120131737-A Composition for improving immunity based on astragalus natural ingredients and preparation method thereof 蔓泰(北京)健康科技有限责任公司 2025-06-13 CN disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20050090687-A1 Method for producing carboxylic acids by alcohol oxidation ALSTERS PAUL (NL) 2005-04-28 US disclosed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US disclosed
US-20030045751-A1 Method for producing carboxylic acid by alcohol oxidation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 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 (6 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A MAPK1 2199/4885CYP3A4 756/4885CTRB1 1958/4885
US-20050090687-A1 Method for producing carboxylic acids by alcohol oxidation ADH5, ADH1C, ADH1A MAPK1 2318/4885CYP3A4 296/4885CTRB1 1716/4885
US-20030045751-A1 Method for producing carboxylic acid by alcohol oxidation ADH5, ADH1C, ADH1A MAPK1 3113/4885CYP3A4 575/4885CTRB1 1929/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A MAPK1 2199/4885CYP3A4 756/4885CTRB1 1958/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A MAPK1 1807/4885CYP3A4 618/4885CTRB1 1460/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A MAPK1 1807/4885CYP3A4 618/4885CTRB1 1460/4885

“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.