SCHEMBL2199535

SCHEMBL2199535

CCOC(=O)CC(=O)c1cc(Cl)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MGLL Q99685 1/20 0.43
PLA2G1B P04054 1/20 0.43
XBP1 P17861 1/20 0.43
ALOX12 P18054 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MIF P14174 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL6318986 0.90 MEN1 (0.50) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL5775638 0.86 ERCC5 (0.58) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL405868 0.86 MEN1 (0.52) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL2461202 0.86 MEN1 (0.49) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL13008025 0.86 NLRP3 (0.44) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL6094414 0.85 KMT2A (0.62) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL3718401 0.84 MAP2K1 (0.43) MEN1KMT2AHPGDTDP1LMNA
SCHEMBL15265331 0.84 MIF (0.45) MEN1KMT2AHPGDLMNAKDM4E
SCHEMBL953973 0.83 TDP1 (0.62) MEN1KMT2AHPGDTDP1KDM4E
SCHEMBL29364863 0.83 TDP1 (0.62) MEN1KMT2AHPGDTDP1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 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 (2 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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP MEN1 4876/4885KMT2A 3844/4885HPGD 1412/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 MEN1 3801/4885KMT2A 3332/4885HPGD 811/4885

“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.