SCHEMBL15086642

SCHEMBL15086642

CC(=O)C(O)C1(NC(=O)OC(C)(C)C)CC(F)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BTK Q06187 1/20 0.33
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
GAA P10253 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 2/20 0.31

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
SCHEMBL1964648 0.88 MEN1 (0.38) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL6884817 0.88 MEN1 (0.38) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL15086644 0.87 MEN1 (0.37) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL6884499 0.87 MEN1 (0.37) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL6886964 0.86 MEN1 (0.36) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL7917188 0.86 MEN1 (0.36) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL1964618 0.86 MEN1 (0.36) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL15086645 0.82 HDAC4 (0.41) DPP8DPP9GAAHDAC4HDAC1
SCHEMBL12070305 0.75 MEN1 (0.35) MEN1MAPK1KMT2AAPLNRDPP8
SCHEMBL6908372 0.73 SMN1; SMN2 (0.36) MAPK1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2013-07-04 US 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 MEN1 3374/4885MAPK1 3584/4885KMT2A 2611/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 MEN1 3374/4885MAPK1 3584/4885KMT2A 2611/4885

“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.