SCHEMBL6021189

SCHEMBL6021189

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=S)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
OPRK1 P41145 1/20 0.42
TACR1 P25103 1/20 0.41
PSMB5 P28074 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 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
SCHEMBL6019826 0.94 CTSL (0.51) CA1CA2CTSSCTSKCTSL
SCHEMBL6020351 0.91 FPR2 (0.53) CA1CA2CTSSCTSKCTSL
SCHEMBL6019563 0.89 CA1 (0.45) CA1CA2CTSSCTSKCTSL
SCHEMBL6021135 0.89 ALDH1A1 (0.47) CA1CA2GAAKMT2ALMNA
SCHEMBL6020155 0.89 MMP9 (0.47) CA1CA2CTSSCTSKCTSL
SCHEMBL6020472 0.87 FPR2 (0.55) CA1CA2CTSSCTSKCTSL
SCHEMBL6023454 0.87 POLB (0.49) CTSSCTSKCTSLCTSBGAA
SCHEMBL6021244 0.87 CTSK (0.48) CTSSCTSKCTSLCTSBLMNA
SCHEMBL6019920 0.86 GAA (0.45) CA1CA2CTSSCTSKCTSL
SCHEMBL6019306 0.84 GAA (0.44) CA1CA2CTSSCTSKCTSL

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 CA1 1403/4885CA2 2390/4885CTSS 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.