SCHEMBL5521755

SCHEMBL5521755

CC(C)CCN(C(=O)NCC#N)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CTSS P25774 11/20 0.42
CTSK P43235 10/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CASR P41180 2/20 0.40
CTSB P07858 3/20 0.39
CTSL P07711 2/20 0.39
CYP17A1 P05093 1/20 0.38
KAT6A Q92794 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL5530670 0.87 HPGD (0.42) PRMT5WDR77CTSSCTSKHDAC3
SCHEMBL6876209 0.86 CASR (0.42) CTSSCTSKCASRCTSBCTSL
SCHEMBL6182109 0.86 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL5521753 0.86 HDAC3 (0.41) PRMT5WDR77HDAC3HDAC1HDAC2
SCHEMBL5525354 0.84 CASR (0.45) PRMT5WDR77CTSSCTSKHDAC3
SCHEMBL6184516 0.79 KDM4E (0.44) CASR
SCHEMBL5522871 0.74 HDAC3 (0.47) PRMT5WDR77CTSSHDAC3HDAC1
SCHEMBL6183560 0.74 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL5522870 0.74 PRMT5 (0.52) PRMT5WDR77CTSSCTSKHDAC3
SCHEMBL5521758 0.74 PRMT5 (0.48) PRMT5WDR77CTSSCTSKHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PRMT5 810/4885WDR77 3203/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PRMT5 810/4885WDR77 3203/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PRMT5 810/4885WDR77 3203/4885CTSS 10/4885

“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.