SCHEMBL2934033

SCHEMBL2934033

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cncc(-c3cccs3)c2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HDAC1 Q13547 2/20 0.40
ATM Q13315 1/20 0.40
HPGDS O60760 1/20 0.38
HCK P08631 2/20 0.38
NR2C2 P49116 2/20 0.38
BTK Q06187 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 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
SCHEMBL2930928 0.88 NPC1 (0.53) CTSSCTSBCTSKCTSLSMN1; SMN2
SCHEMBL2934031 0.87 CTSS (0.42) CTSSCTSBCTSKCTSLSMN1; SMN2
SCHEMBL2932529 0.86 PSMB5 (0.45) CTSSCTSBCTSKCTSLHDAC1
SCHEMBL13876383 0.83 ATM (0.53) SMN1; SMN2RAB9ANPC1HDAC1ATM
SCHEMBL2932710 0.81 ATM (0.43) CTSSCTSBCTSKCTSLSMN1; SMN2
SCHEMBL2933398 0.80 ATM (0.44) CTSSCTSBCTSKCTSLSMN1; SMN2
SCHEMBL2926141 0.80 RAB9A (0.48) CTSSCTSKSMN1; SMN2RAB9ANPC1
SCHEMBL2933907 0.76 NPC1 (0.47) SMN1; SMN2RAB9ANPC1HDAC1DRD2
SCHEMBL2929287 0.76 NPC1 (0.48) CTSSCTSBCTSKSMN1; SMN2RAB9A
SCHEMBL12191000 0.75 HDAC1 (0.62) SMN1; SMN2RAB9ANPC1HDAC1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US claimed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 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-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CTSS 818/4885CTSB 302/4885CTSK 1114/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CTSS 818/4885CTSB 302/4885CTSK 1114/4885

“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.