SCHEMBL4323913

SCHEMBL4323913

CC(=O)c1cccc(B(O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
THRB P10828 1/20 0.34
MMP2 P08253 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CFTR P13569 1/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3498784 0.83 G6PD (0.46) G6PDCASP7CASP6THRBMMP2
SCHEMBL9845939 0.82 G6PD (0.34) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL519802 0.79 ENPP2 (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL29469063 0.79 ENPP2 (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL1451940 0.78 ALDH1A1 (0.53) CASP7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28018486 0.78 AKT1 (0.37) G6PDCASP7CASP6THRBMMP2
SCHEMBL3784961 0.78 THRB (0.45) THRBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL505381 0.77 MMP2 (0.47) G6PDCASP7CASP6THRBMMP2
SCHEMBL1066809 0.76 CES2 (0.41) THRBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3586373 0.75 CA12 (0.38) G6PDCASP7CASP6THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087622-B2 Pyridone compounds as inhibitors of bacterial type III protein secreation systems JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
WO-2005110988-A1 PYRIDONE COMPOUNDS AS INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-24 WO disclosed
US-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-17 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 (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-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS G6PD 1558/4885CASP7 2087/4885CASP6 457/4885
US-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems PROC, PSMB3, PANK3 G6PD 1494/4885CASP7 1652/4885CASP6 798/4885

“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.