SCHEMBL3213155

SCHEMBL3213155

O=C(Nn1cc(S(=O)(=O)N2CCOCC2)c2cc(F)ccc21)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ENPP2 Q13822 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALB P02768 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HPGDS O60760 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ATM Q13315 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
SCHEMBL14313455 0.89 CASP1 (0.42) ALDH1A1CASP1HTTHSD17B10ENPP2
SCHEMBL3220072 0.88 HPGDS (0.52) ALDH1A1CASP1HTTHSD17B10ENPP2
SCHEMBL3220417 0.85 HPGDS (0.41) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL3213078 0.84 HPGDS (0.43) HPGDS
SCHEMBL3222629 0.84 HPGDS (0.43) HPGDS
SCHEMBL14313280 0.83 MEN1 (0.42) ALDH1A1CASP1HTTHSD17B10MAPT
SCHEMBL12083557 0.82 HPGDS (0.46) RAB9AMEN1KMT2AHPGDS
SCHEMBL3210328 0.81 HPGDS (0.44) ALDH1A1KDM4EHPGDS
SCHEMBL12083571 0.78 HPGDS (0.58) NPC1RAB9AHPGDS
SCHEMBL3222186 0.76 CYP2D6 (0.49) ALDH1A1CASP1HTTHSD17B10LMNA

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 12 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-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
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-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US 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 298/4885CASP1 682/4885HTT 2449/4885

“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.