SCHEMBL3220344

SCHEMBL3220344

COC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HTR6 P50406 2/20 0.51
AKR1C3 P42330 9/20 0.47
AKR1C2 P52895 5/20 0.45
ICMT O60725 3/20 0.41
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX1 P07099 1/20 0.38
AR P10275 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL5794780 0.87 HTR6 (0.53) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL29444455 0.86 L3MBTL1 (0.56) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL17872017 0.86 L3MBTL1 (0.56) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL29228913 0.85 HTR6 (0.55) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL30458192 0.85 HTR6 (0.55) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL30458162 0.84 HTR6 (0.54) L3MBTL1HTR6AKR1C3AKR1C2ICMT
SCHEMBL2018732 0.83 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3ALDH1A1MAPT
SCHEMBL29651147 0.83 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3ALDH1A1MAPT
SCHEMBL17871942 0.82 L3MBTL1 (0.52) L3MBTL1HTR6AKR1C3AKR1C2ALDH1A1
SCHEMBL14499879 0.81 HTR6 (0.55) L3MBTL1HTR6AKR1C3AKR1C2ICMT

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 L3MBTL1 3418/4885HTR6 609/4885AKR1C3 736/4885

“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.