SCHEMBL6019517

SCHEMBL6019517

CSCC(NC(=O)c1ccc(CCl)cc1)C(=O)N(C)C#N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
CTSL P07711 8/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 6/20 0.39
CTSF Q9UBX1 1/20 0.38
PTPN1 P18031 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL6019792 0.86 FNTA (0.45) CTSBRAB9ACTSLCTSSCTSK
SCHEMBL6019657 0.86 L3MBTL1 (0.41) CTSBL3MBTL1RAB9ACTSLCTSS
SCHEMBL6020007 0.85 CTSL (0.51) CTSBRAB9ACTSLCTSSCTSK
SCHEMBL6020919 0.84 CTSL (0.54) CTSBRAB9ACTSLCTSSCTSK
SCHEMBL6020188 0.84 CTSL (0.53) CTSBRAB9ACTSLCTSSCTSK
SCHEMBL6019808 0.84 CTSB (0.46) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6021277 0.82 CTSB (0.42) CTSBCTSLCTSSCTSKCTSF
SCHEMBL6019523 0.80 CTSL (0.57) CTSBCTSLCTSSCTSK
SCHEMBL6020748 0.79 CTSB (0.58) CTSBCTSLCTSSCTSKPTPN1
SCHEMBL6019665 0.79 CTSB (0.45) CTSBL3MBTL1CTSLCTSSCTSK

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 CTSB 2514/4885L3MBTL1 1177/4885RAB9A 841/4885

“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.