SCHEMBL6020340

SCHEMBL6020340

N#CCCNC(=O)C(Cc1csc2ccccc12)NC(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
MTNR1A P48039 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EPHX1 P07099 4/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 3/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
CALCRL Q16602 1/20 0.37
F10 P00742 2/20 0.37

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
SCHEMBL6021430 0.91 CTSL (0.62) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6019487 0.83 CTSL (0.51) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6021563 0.82 CTSS (0.58) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6018654 0.82 CTSL (0.55) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020070 0.82 CTSS (0.62) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020440 0.82 EPHX2 (0.55) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6020454 0.81 CTSL (0.51) CTSLCTSSCTSKDPP4DPP8
SCHEMBL6446824 0.81 CTSL (0.56) CTSLCTSSCTSK
SCHEMBL6019756 0.80 CTSL (0.60) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6019601 0.80 CTSS (0.68) CTSLCTSSCTSKMMP2MMP9

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
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.