SCHEMBL6019480

SCHEMBL6019480

CCN(C#N)C(=O)C(Cc1csc2ccccc12)NC(=O)NC1CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
EPHX2 P34913 3/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
TACR1 P25103 1/20 0.35
F10 P00742 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL6021105 0.84 CTSS (0.61) CTSLCTSSCTSKEPHX2DPP4
SCHEMBL6020100 0.84 EPHX2 (0.44) CTSLCTSSCTSKEPHX2SMN1; SMN2
SCHEMBL6020332 0.84 CTSL (0.45) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6021063 0.83 KDM1A (0.51) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6021553 0.82 CTSL (0.52) CTSLCTSSCTSKSMN1; SMN2MMP2
SCHEMBL6021477 0.81 SMN1; SMN2 (0.43) EPHX2SMN1; SMN2NPSR1HRH3CA1
SCHEMBL6020064 0.81 CTSS (0.52) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6020857 0.81 CTSL (0.46) CTSLCTSSCTSKEPHX2SMN1; SMN2
SCHEMBL6020670 0.81 CTSL (0.49) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6019487 0.81 CTSL (0.51) CTSLCTSSCTSKEPHX2DPP4

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 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.