SCHEMBL4064396

SCHEMBL4064396

CS(=O)(=O)CCN1C(=O)C(N)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 9/20 0.51
KYAT1 Q16773 3/20 0.51
KYAT3 Q6YP21 3/20 0.51
GOT1 P17174 1/20 0.51
PYGL P06737 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.39
CACNA1S Q13698 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL4064400 0.83 AADAT (0.48) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4064393 0.82 PYGL (0.48) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4064973 0.80 AADAT (0.60) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4073071 0.80 AADAT (0.52) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL5629416 0.80 CACNA1S (0.57) AADATKYAT1KYAT3GOT1SMN1; SMN2
SCHEMBL5628897 0.80 AADAT (0.52) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4242434 0.78 AADAT (0.57) AADATKYAT1KYAT3GOT1PYGL
SCHEMBL4069787 0.77 AADAT (0.50) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL27542522 0.76 AADAT (0.55) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4945217 0.76 HTR7 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 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 (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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 AADAT 426/4885KYAT1 542/4885KYAT3 1050/4885

“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.