SCHEMBL6019168

SCHEMBL6019168

CCNC(=S)NC(Cc1c[nH]c2ccccc12)C(=O)N(C#N)CC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
TACR1 P25103 1/20 0.48
ALOX15 P16050 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CCKBR P32239 1/20 0.48
CTSC P53634 2/20 0.48
ACE P12821 3/20 0.48
ECE1 P42892 2/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46

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
SCHEMBL6019742 0.90 MMP9 (0.51) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6020689 0.89 CA1 (0.58) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6021347 0.87 TACR1 (0.63) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6020622 0.86 TACR1 (0.56) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6020035 0.85 MMP9 (0.53) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6020901 0.84 CTSL (0.68) CTSLMMP9MMP8MMP14TACR1
SCHEMBL6019319 0.84 CTSL (0.54) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6021311 0.84 LMNA (0.53) MMP9CA1CA2CCKBR
SCHEMBL6021416 0.84 KMT2A (0.59) CTSLMMP9MMP8MMP14CTSS
SCHEMBL6019870 0.83 MEN1 (0.57) CTSLMMP9MMP8MMP14CTSS

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 CTSL 2274/4885MMP9 2430/4885MMP8 2383/4885

“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.