SCHEMBL3222543

SCHEMBL3222543

CC(C)(O)CC1=C(C(N)=O)[N]c2ccc(F)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 6/20 0.34
RXRA P19793 3/20 0.33
SCN9A Q15858 2/20 0.33
FPR2 P25090 1/20 0.33
MAP3K14 Q99558 1/20 0.33
GRM2 Q14416 3/20 0.32
SLC9A1 P19634 2/20 0.31
PARK7 Q99497 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL3226166 0.87 MAPK14 (0.34) NR3C1PGRCYP3A4PPARGRXRA
SCHEMBL3230779 0.82 PPARG (0.35) PPARGRXRASCN9AGRM2SLC9A1
SCHEMBL3802310 0.79 SCN9A (0.33) NR3C1PGRCYP3A4PPARGRXRA
SCHEMBL3231611 0.76 SLC9A1 (0.38) PPARGRXRASCN9AGRM2SLC9A1
SCHEMBL3261767 0.74 PARP1 (0.37) GRM2SLC9A1
SCHEMBL3217914 0.73 GRM2 (0.37) PPARGSCN9AGRM2SLC9A1
SCHEMBL3213498 0.71 GRM2 (0.48) CYP3A4GRM2
SCHEMBL3233045 0.71 PARP1 (0.34) GRM2SLC9A1
SCHEMBL3219731 0.70 JAK2 (0.41) CYP3A4SCN9A
SCHEMBL3232086 0.70 USP8 (0.35) GRM2SLC9A1

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 10 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 claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
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 NR3C1 273/4885PGR 43/4885CYP3A4 398/4885

“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.