SCHEMBL4073149

SCHEMBL4073149

COC(=O)C(Cc1cccnc1NC(=O)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
KLK5 Q9Y337 1/20 0.43
SCN9A Q15858 13/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
SCN10A Q9Y5Y9 5/20 0.41
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30705546 0.82 TACR1 (0.48) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL14280758 0.82 TACR1 (0.46) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL29039962 0.78 KLK5 (0.49) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL16464699 0.76 HDAC6 (0.60) TACR1KLK5CTSSCTSK
SCHEMBL16464697 0.76 HDAC6 (0.60) TACR1KLK5CTSSCTSK
SCHEMBL24309187 0.76 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL7842742 0.76 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL29478098 0.76 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL2584054 0.76 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL14280757 0.76 KLK5 (0.46) TACR1KLK5SCN9ACTSSCTSK

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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
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
EP-1819332-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006059164-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-08 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 TACR1 1770/4885KLK5 3112/4885SCN9A 2395/4885

“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.