SCHEMBL6019739

SCHEMBL6019739

N#CCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.63
CTSB P07858 8/20 0.63
CTSK P43235 7/20 0.63
CTSL P07711 6/20 0.63
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
FCER2 P06734 1/20 0.46
FOLH1 Q04609 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
JAK2 O60674 1/20 0.43
TACR2 P21452 1/20 0.43

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
SCHEMBL6020844 0.91 CTSB (0.54) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6020669 0.91 CTSB (0.52) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6019340 0.91 CTSS (0.76) CTSSCTSBCTSKCTSLMME
SCHEMBL6020189 0.90 CTSS (0.57) CTSSCTSBCTSKCTSLTACR2
SCHEMBL6020539 0.89 FPR2 (0.53) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6019515 0.88 CTSL (0.54) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6020642 0.88 FPR2 (0.55) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6021529 0.87 FPR2 (0.56) CTSSCTSBCTSKCTSLCHRM2
SCHEMBL6021212 0.86 CTSB (0.62) CTSSCTSBCTSKCTSLMME
SCHEMBL6019710 0.86 CTSS (0.49) CTSSCTSBCTSKCTSLMME

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 CTSS 2720/4885CTSB 2514/4885CTSK 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.