SCHEMBL6020575

SCHEMBL6020575

N#CCNC(=O)C(Cc1csc2ccccc12)NC(=O)NCc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.64
CTSK P43235 7/20 0.64
CTSL P07711 7/20 0.64
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.41
CTSB P07858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL6020478 0.91 CTSS (0.52) CTSSCTSKCTSLCYP3A4CYP2C19
SCHEMBL6020175 0.89 CTSL (0.69) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6021073 0.86 CTSL (0.65) CTSSCTSKCTSLSMN1; SMN2CTSB
SCHEMBL6019600 0.85 CTSL (0.66) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020471 0.84 CTSS (0.47) CTSSCTSKCTSLCYP3A4CYP2C19
SCHEMBL6020525 0.83 CTSL (0.61) CTSSCTSKCTSLCTSB
SCHEMBL6020582 0.83 CTSS (0.74) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020420 0.83 CTSS (0.62) CTSSCTSKCTSLCTSB
SCHEMBL6447605 0.83 CTSL (0.66) CTSSCTSKCTSLCTSB
SCHEMBL6019840 0.82 CTSL (0.67) CTSSCTSKCTSLMMP2MMP9

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
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
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 2720/4885CTSK 2529/4885CTSL 2274/4885

“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.