SCHEMBL2930834

SCHEMBL2930834

Cc1ccc(C(=O)NC[C@H](NC(=O)c2csc(-c3ccccc3)n2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HPGDS O60760 1/20 0.47
PANK3 Q9H999 1/20 0.46
POLB P06746 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIN1 Q13526 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL2930833 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1HPGDSPOLB
SCHEMBL2928006 0.84 PSMB5 (0.52) SMN1; SMN2HPGDSHDAC1HDAC8HDAC6
SCHEMBL2935257 0.83 CNR2 (0.54) SMN1; SMN2RAB9ANPC1CYP3A4P2RY12
SCHEMBL2927699 0.83 NPC1 (0.53) SMN1; SMN2RAB9ANPC1POLBHDAC1
SCHEMBL2931864 0.83 KMT2A (0.57) SMN1; SMN2RAB9ANPC1
SCHEMBL2929287 0.82 NPC1 (0.48) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL2935265 0.81 NPC1 (0.56) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL2934007 0.80 NPC1 (0.46) SMN1; SMN2RAB9ANPC1HDAC1CYP1A2
SCHEMBL2927824 0.80 NPC1 (0.48) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL2926115 0.80 HPGDS (0.54) HPGDSPANK3TLR7HDAC1HDAC8

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-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 SMN1; SMN2 1069/4885RAB9A 3665/4885NPC1 2169/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 SMN1; SMN2 1069/4885RAB9A 3665/4885NPC1 2169/4885

“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.