SCHEMBL6886960

SCHEMBL6886960

CC(C)(C)OC(=O)N[C@]1(CO)C[C@@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
APLNR P35414 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1H O95180 1/20 0.34
EPHX1 P07099 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 2/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7925918 1.00 KMT2A (0.40) KMT2AMEN1MAPK1APLNRDPP8
SCHEMBL22644339 0.83 APLNR (0.40) KMT2AMEN1MAPK1APLNRDPP8
SCHEMBL6884925 0.83 KMT2A (0.39) KMT2AMEN1MAPK1APLNRDPP8
SCHEMBL56916 0.81 TDP1 (0.41) KMT2AMEN1MAPK1APLNRTDP1
SCHEMBL6887591 0.79 APLNR (0.37) KMT2AMEN1MAPK1APLNRDPP8
SCHEMBL5521873 0.78 P2RX7 (0.42) KMT2AMEN1MAPK1APLNRTDP1
SCHEMBL1368840 0.78 P2RX7 (0.40) KMT2AMEN1MAPK1APLNRTDP1
SCHEMBL22380561 0.77 MEN1 (0.35) KMT2AMEN1MAPK1TDP1CACNA1H
SCHEMBL12975362 0.77 P2RX7 (0.44) KMT2AMEN1MAPK1APLNRTDP1
SCHEMBL941564 0.77 P2RX7 (0.44) KMT2AMEN1MAPK1APLNRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582660-B1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LTD (GB) 2015-07-22 EP disclosed
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD 2015-01-22 US disclosed
US-8859505-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 EP disclosed
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2013-07-04 US disclosed
WO-2012172473-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-20 WO disclosed
WO-2012168852-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-13 WO disclosed
WO-2011158197-A1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LIMITED (GB) 2011-12-22 WO disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 KMT2A 2611/4885MEN1 3374/4885MAPK1 3584/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 KMT2A 2611/4885MEN1 3374/4885MAPK1 3584/4885

“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.