SCHEMBL6021163

SCHEMBL6021163

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.44
NAMPT P43490 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CTSL P07711 4/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6021281 0.85 CTSL (0.54) CTSBCTSLCTSSCTSK
SCHEMBL6021497 0.84 CTSB (0.46) CTSBNAMPTMEN1KMT2AHTT
SCHEMBL6020267 0.84 CTSL (0.54) CTSBMEN1KMT2AALDH1A1CTSL
SCHEMBL6020093 0.83 CTSL (0.58) CTSBMEN1KMT2ACTSLCTSS
SCHEMBL6019665 0.82 CTSB (0.45) CTSBCTSLCTSSCTSK
SCHEMBL6019339 0.82 CTSL (0.55) CTSBMEN1KMT2AALDH1A1CTSL
SCHEMBL6021160 0.82 CTSL (0.43) CTSBHTTSMN1; SMN2ALDH1A1CTSL
SCHEMBL6021277 0.79 CTSB (0.42) CTSBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6021561 0.78 CTSS (0.61) CTSBCTSLCTSSCTSK
SCHEMBL6021154 0.77 ALDH1A1 (0.44) CTSBMEN1KMT2AHTTSMN1; SMN2

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 6 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-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-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 2514/4885NAMPT 3924/4885MEN1 4215/4885

“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.