SCHEMBL2824327

SCHEMBL2824327

COC(=O)c1ccc(C=CC(=O)O)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.58
KDM4E B2RXH2 4/20 0.51
ATM Q13315 2/20 0.51
ERN1 O75460 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 4/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A1 P04798 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
SCHEMBL2824325 1.00 MIF (0.58) MIFKDM4EATMERN1CA12
SCHEMBL20555920 0.84 MIF (0.54) MIFKDM4EATMCA12CA1
SCHEMBL27359244 0.83 ERN1 (0.45) KDM4EATMERN1CA12CA1
SCHEMBL6825655 0.83 KDM4E (0.52) KDM4EATMCA12CA1CA2
SCHEMBL4206326 0.82 CYP3A4 (0.41) MIFKDM4EATMERN1CA12
SCHEMBL4206316 0.82 CYP3A4 (0.41) MIFKDM4EATMERN1CA12
SCHEMBL2827580 0.82 CTSL (0.54) KDM4EATMALOX15LMNAMAPT
SCHEMBL2827575 0.82 CTSL (0.54) KDM4EATMALOX15LMNAMAPT
SCHEMBL9306201 0.81 CA12 (0.49) KDM4EATMERN1CA12CA1
SCHEMBL30437722 0.81 ERN1 (0.58) KDM4EATMERN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A MIF 1361/4885KDM4E 206/4885ATM 580/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A MIF 802/4885KDM4E 211/4885ATM 1655/4885

“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.