SCHEMBL6019352

SCHEMBL6019352

CSCC(NS(=O)(=O)c1ccc2ncccc2c1)C(=O)NCC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44
CTSS P25774 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
NAMPT P43490 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
PFKFB3 Q16875 1/20 0.40
BCAT1 P54687 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C1 P04150 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL6021131 0.92 TSHR (0.42) MMP1ADAM17CTSSMMP2MMP13
SCHEMBL6020468 0.88 MMP1 (0.44) MMP1ADAM17CTSSMMP2MMP13
SCHEMBL6020309 0.87 ITGB3 (0.49) CTSSMMP2NAMPTPOLB
SCHEMBL6020081 0.85 CTSL (0.48) MMP1ADAM17CTSSNAMPTMEN1
SCHEMBL6020144 0.84 CTSS (0.52) CTSSNAMPTPOLB
SCHEMBL6021125 0.82 MMP2 (0.41) MMP1ADAM17MMP2MMP13NAMPT
SCHEMBL6021756 0.80 MMP1 (0.42) MMP1ADAM17CTSSMMP2MMP13
SCHEMBL6020982 0.80 CTSS (0.51) MMP1ADAM17CTSSMMP2MMP13
SCHEMBL6020426 0.80 MMP2 (0.54) ADAM17CTSSMMP2MEN1KMT2A
SCHEMBL6020043 0.80 CTSS (0.48) MMP1ADAM17CTSSMMP2MMP13

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-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
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO 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 MMP1 3281/4885ADAM17 3829/4885CTSS 2720/4885

“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.