SCHEMBL7920331

SCHEMBL7920331

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 8/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NOTUM Q6P988 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL25190853 0.88 GSK3B (0.47) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL15544203 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL1355313 0.85 CA12 (0.50) KDM4EALDH1A1HSD17B10MAPTCA12
SCHEMBL15920693 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL523320 0.83 KDM4E (0.62) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL11900411 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL24619360 0.81 PTPN1 (0.43) KDM4EHPGDGAAGSK3BPTPN1
SCHEMBL24619281 0.81 NOTUM (0.58) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL2301205 0.80 KDM4E (0.54) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL7928045 0.80 KDM4E (0.54) KDM4EALDH1A1HSD17B10MAPTHPGD

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 US disclosed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 US disclosed
US-9428517-B2 Protease inhibitors MEDIVIR AB (SE) 2016-08-30 US disclosed
US-9428517-B2 Protease inhibitors MEDIVIR AB (SE) 2016-08-30 US disclosed
US-20160068539-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2016-03-10 US disclosed
US-20160068539-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2016-03-10 US disclosed
EP-2167507-B1 Cysteine protease inhibitors MEDIVIR AB (SE) 2016-03-02 EP disclosed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US disclosed
US-7893067-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2011-02-22 US disclosed
US-7893067-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2011-02-22 US disclosed
US-20110039862-A1 Protease Inhibitors MEDIVIR AB (SE) 2011-02-17 US disclosed
US-20110039862-A1 Protease Inhibitors MEDIVIR AB (SE) 2011-02-17 US disclosed
WO-2010034789-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 WO disclosed
WO-2010034788-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 WO disclosed
US-20090023748-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023748-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
WO-2009000877-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-12-31 WO disclosed
WO-2008114054-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 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 (5 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-20160068539-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS KDM4E 3773/4885ALDH1A1 3140/4885HSD17B10 2882/4885
US-20090023748-A1 Cysteine Protease Inhibitors CTSK, CTSL, CTSV KDM4E 412/4885ALDH1A1 3386/4885HSD17B10 3744/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 KDM4E 3966/4885ALDH1A1 3144/4885HSD17B10 2399/4885
US-20110039862-A1 Protease Inhibitors CTSK, CTSF, CTSS KDM4E 3808/4885ALDH1A1 3165/4885HSD17B10 2900/4885
US-20170166538-A1 PROTEASE INHIBITORS MMP8, CTSK, CTSS KDM4E 3963/4885ALDH1A1 3184/4885HSD17B10 3013/4885

“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.