SCHEMBL6019923

SCHEMBL6019923

CSCC(NC(=S)Nc1ccccc1)C(=O)NCCC#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ABAT P80404 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CAPN1 P07384 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL6019419 0.91 GAA (0.49) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6021004 0.87 ALDH1A1 (0.44) GAALMNAHPGDCTSSCTSK
SCHEMBL6019470 0.85 ALDH1A1 (0.48) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6021193 0.85 CTSS (0.54) GAAKMT2ACA1CA2CTSS
SCHEMBL6019310 0.84 CTSB (0.45) GAAKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6021360 0.84 CA1 (0.36) LMNASMN1; SMN2CA1CA2CTSS
SCHEMBL6019819 0.84 CASR (0.45) SMN1; SMN2CTSSCTSKALDH1A1CTSL
SCHEMBL6020867 0.84 LMNA (0.47) GAALMNAHPGDSMN1; SMN2CTSS
SCHEMBL6019837 0.81 CTSL (0.55) GAACA1CA2CTSSCTSK
SCHEMBL6020261 0.81 CTSL (0.58) CTSSCTSKCTSLCTSB

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 GAA 3708/4885KMT2A 1324/4885LMNA 549/4885

“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.