SCHEMBL15086641

SCHEMBL15086641

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 9/20 0.37
CTSK P43235 9/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CTSB P07858 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL12070307 0.90 HDAC4 (0.41) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL15086645 0.81 HDAC4 (0.41) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL12070306 0.78 HDAC4 (0.40) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL15859414 0.75 CTSS (0.42) CTSLCTSS
SCHEMBL15859413 0.75 CTSS (0.42) CTSLCTSS
SCHEMBL3827241 0.75 CTSL (0.45) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL5048335 0.75 CTSL (0.43) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL6477869 0.74 CTSL (0.42) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL3817398 0.74 CTSL (0.46) HDAC4HDAC1CTSLCTSSCTSK
SCHEMBL5045486 0.73 CTSL (0.43) HDAC4HDAC1CTSLCTSSCTSK

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 HDAC4 2279/4885HDAC1 791/4885CTSL 9/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 HDAC4 2279/4885HDAC1 791/4885CTSL 9/4885

“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.