SCHEMBL5743936

SCHEMBL5743936

CC(C)(C)OC(N)=O.CC[C@@H](Cc1ccccc1)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
ATM Q13315 1/20 0.42
CTSS P25774 2/20 0.41
SLC7A5 Q01650 2/20 0.40
SYK P43405 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ACE P12821 1/20 0.39
SRR Q9GZT4 2/20 0.39
EPHX1 P07099 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
ALDH1A1 P00352 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL6476417 0.83 ATM (0.44) CTSLCTSBCTSKATMCTSS
Ethylbenzene SCHEMBL27571280 0.79 TP53 (0.50) ATMSLC7A5SYKALDH1A1
Dl-Phenylalanine SCHEMBL29077118 0.78 SLC7A5 (0.67) SLC7A5SRRALPIPKMPTGS1
SCHEMBL9280171 0.77 CTSK (0.55) CTSLCTSBCTSKSLC7A5SRR
SCHEMBL22042158 0.76 LMNA (0.47) CTSKCTSSALDH1A1
SCHEMBL27618952 0.76 ATM (0.46) CTSLCTSBCTSKATMCTSS
Phenyl Propionic Acid SCHEMBL7261317 0.75 KEAP1 (0.61) ALDH1A1
Phenylacetic Acid SCHEMBL11795960 0.74 AKR1B1 (0.59) PTGS1
SCHEMBL12791222 0.74 TAAR1 (0.44) SRREPHX1ALDH1A1
SCHEMBL28954433 0.73 TSHR (0.49) SLC7A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CTSL 10/4885CTSB 12/4885CTSK 4/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSL 13/4885CTSB 12/4885CTSK 5/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSL 11/4885CTSB 6/4885CTSK 4/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSL 9/4885CTSB 10/4885CTSK 3/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSL 11/4885CTSB 6/4885CTSK 4/4885

“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.