SCHEMBL6019655

SCHEMBL6019655

CSCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.46
PSMB5 P28074 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
MMP2 P08253 1/20 0.41
BMP1 P13497 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL6021409 0.90 RAB9A (0.47) PSMB8PSMB5LMNAALDH1A1NPSR1
SCHEMBL6021548 0.88 CTSL (0.45) PSMB8PSMB5ALDH1A1MMP2
SCHEMBL6019139 0.88 ALDH1A1 (0.48) PSMB8PSMB5LMNAALDH1A1KMT2A
SCHEMBL6020951 0.87 HSD17B10 (0.50) PSMB8ALDH1A1RAB9AMMP2BMP1
SCHEMBL6019958 0.86 PSMB8 (0.46) PSMB8PSMB5LMNAALDH1A1NPSR1
SCHEMBL6020118 0.83 HDAC3 (0.40) PSMB8PSMB5ALDH1A1MMP2
SCHEMBL6021143 0.82 MMP2 (0.61) ALDH1A1ADAMTS5MMP2
SCHEMBL6021345 0.81 MEN1 (0.50) PSMB8PSMB5ALDH1A1MEN1KMT2A
SCHEMBL6020043 0.78 CTSS (0.48) PSMB8MMP2
SCHEMBL6020970 0.78 ALDH1A1 (0.53) PSMB8PSMB5ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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 (1 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 PSMB8 426/4885PSMB5 423/4885LMNA 549/4885

“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.