SCHEMBL6021160

SCHEMBL6021160

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.43
TP53 P04637 1/20 0.43
CTSB P07858 5/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40

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 0.90 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL6020261 0.85 CTSL (0.58) CTSLCTSBCTSSCTSK
SCHEMBL6021493 0.85 CTSL (0.49) CTSLTP53CTSBCTSSCTSK
SCHEMBL6020088 0.84 CTSL (0.65) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL6019662 0.83 CTSB (0.46) CTSLCTSBCTSSCTSK
SCHEMBL6019331 0.83 CTSL (0.62) CTSLCTSBCTSSCTSK
SCHEMBL6021163 0.82 CTSB (0.44) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6442164 0.81 SMN1; SMN2 (0.46) TP53SMN1; SMN2HTTALDH1A1NFKB1
SCHEMBL6020191 0.80 SAE1 (0.45) SMN1; SMN2HTTALDH1A1POLB
SCHEMBL6019544 0.79 FPR2 (0.52) SMN1; SMN2HTT

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 CTSL 2274/4885TP53 4859/4885CTSB 2514/4885

“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.