SCHEMBL2932508

SCHEMBL2932508

NC(=O)c1cncc(-c2cccs2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.58
CHEK1 O14757 1/20 0.58
SIRT2 Q8IXJ6 3/20 0.50
SIRT3 Q9NTG7 2/20 0.50
MKNK1 Q9BUB5 5/20 0.49
MKNK2 Q9HBH9 5/20 0.49
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
AR P10275 1/20 0.46
CYP11B2 P19099 2/20 0.45
CYP11B1 P15538 1/20 0.45
BRAF P15056 1/20 0.44
FYN P06241 1/20 0.44
NEK2 P51955 1/20 0.44

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
SCHEMBL30314856 1.00 CHEK2 (0.58) CHEK2CHEK1SIRT2SIRT3MKNK1
SCHEMBL569420 0.86 CYP2E1 (0.50) CHEK2CHEK1MKNK1MKNK2CYP2E1
SCHEMBL25171070 0.84 CYP2E1 (0.49) CHEK2CHEK1SIRT2SIRT3CYP2E1
SCHEMBL31016008 0.84 CYP2E1 (0.49) CHEK2CHEK1SIRT2SIRT3CYP2E1
SCHEMBL13692396 0.84 MKNK1 (0.51) CHEK2CHEK1MKNK1MKNK2CYP2E1
SCHEMBL31437962 0.81 CYP2A6 (0.52) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL13687505 0.81 CYP2E1 (0.45) CHEK2CHEK1CYP2E1CYP3A4CYP2A6
SCHEMBL1357023 0.79 CYP2A6 (0.67) CHEK2CHEK1CYP2E1CYP3A4CYP2A6
SCHEMBL4559856 0.79 AR (0.52) CHEK2CHEK1HDAC3HDAC1HDAC2
SCHEMBL12190998 0.77 XDH (0.59) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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 12 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
EP-1846424-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2007-10-24 EP claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 WO claimed
WO-2015089481-A2 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO disclosed
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 CHEK2 1666/4885CHEK1 1129/4885SIRT2 2840/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CHEK2 1666/4885CHEK1 1129/4885SIRT2 2840/4885

“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.