SCHEMBL5597477

SCHEMBL5597477

NC(CC(=O)O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
HPGD P15428 5/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
TSHR P16473 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.38

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
SCHEMBL5918770 1.00 AKR1B1 (0.44) AKR1B1HPGDGABBR2GABBR1TSHR
SCHEMBL31757740 1.00 AKR1B1 (0.44) AKR1B1HPGDGABBR2GABBR1TSHR
Hydrochloric Acid SCHEMBL6947309 0.98 AKR1B1 (0.42) AKR1B1HPGDGABBR2GABBR1TSHR
SCHEMBL27755728 0.85 TSHR (0.42) AKR1B1HPGDTSHRGABRA1GABRB2
SCHEMBL30556756 0.82 AKR1B1 (0.45) AKR1B1HPGDGABBR2GABBR1TSHR
SCHEMBL9579846 0.82 AKR1B1 (0.45) AKR1B1HPGDGABBR2GABBR1TSHR
SCHEMBL28963600 0.82 HPGD (0.50) AKR1B1HPGDGABBR2GABBR1TSHR
SCHEMBL5720952 0.81 CTSA (0.47) GABBR2GABBR1
SCHEMBL2320843 0.81 CTSA (0.47) GABBR2GABBR1
SCHEMBL2320833 0.81 CTSA (0.47) GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502314-A 2007-02-08 JP claimed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US claimed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP claimed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 WO claimed
CN-107709334-A New amino acid derivativges, its preparation method and include their Pharmaceutical composition 法国施维雅药厂 2018-02-16 CN disclosed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
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-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP disclosed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 WO disclosed
EP-0839799-A1 2-HYDROXYPHENYLALKYLAMINE DERIVATIVES AND MAILLARD REACTION INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-05-06 EP 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-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 AKR1B1 165/4885HPGD 2174/4885GABBR2 274/4885
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 AKR1B1 239/4885HPGD 3943/4885GABBR2 48/4885

“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.