SCHEMBL3603168

SCHEMBL3603168

N#Cc1cn(CC(=O)O)cc1-c1cccc2c1OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
FAAH O00519 1/20 0.34
HTR2A P28223 3/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DHODH Q02127 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL3599663 0.80 FFAR4 (0.41) STAT3SLC22A12
SCHEMBL3597568 0.78 STAT3 (0.49) STAT3MAPK1ALDH1A1KMT2A
SCHEMBL3602705 0.74 STAT3 (0.40) STAT3KDM4EALDH1A1HPGDDHODH
SCHEMBL3598999 0.74 STAT3 (0.45) STAT3KDM4EALDH1A1LMNAHPGD
SCHEMBL3595050 0.73 STAT3 (0.49) STAT3
SCHEMBL11937794 0.73
SCHEMBL3601954 0.72 KMO (0.39) STAT3
SCHEMBL3605795 0.71 STAT3 (0.42) STAT3KDM4EALDH1A1HPGDSLC22A12
SCHEMBL3604843 0.71 AR (0.44) STAT3ALDH1A1HPGDMEN1KMT2A
SCHEMBL9206361 0.71 HTR2A (0.37) MAPK1KDM4EALDH1A1LMNAHPGD

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US claimed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP claimed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP claimed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO claimed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 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 (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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 STAT3 906/4885MAPK1 1837/4885KDM4E 2754/4885

“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.