SCHEMBL3228835

SCHEMBL3228835

C=CCN(CC(=O)OCC)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
ALOX5 P09917 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PIN1 Q13526 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 3/20 0.40
GSTO1 P78417 1/20 0.39
PPID Q08752 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10382170 0.88 ABCB1 (0.46) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL3212998 0.88 CCR6 (0.45) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL11298241 0.88 CCR6 (0.42) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL928852 0.88 ALDH1A1 (0.49) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL14630761 0.88 ALOX5 (0.47) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL12493072 0.85 ALDH1A1 (0.49) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL21573938 0.85 ALDH1A1 (0.47) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL1517791 0.85 HCAR2 (0.46) ALDH1A1CCR6PAX8HCAR2L3MBTL1
SCHEMBL11307171 0.85 ALDH1A1 (0.47) ALDH1A1CCR6PAX8L3MBTL1MAPK1
SCHEMBL3508186 0.85 L3MBTL1 (0.44) ALDH1A1CCR6PAX8HCAR2L3MBTL1

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 ALDH1A1 298/4885CCR6 658/4885PAX8 2747/4885

“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.