SCHEMBL6019339

SCHEMBL6019339

CC(=O)Nc1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C)C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.55
CHRM3 P20309 3/20 0.46
CHRM2 P08172 2/20 0.46
CTSS P25774 3/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46
CHRM1 P11229 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
USP30 Q70CQ3 1/20 0.43
ERAP2 Q6P179 2/20 0.43
LNPEP Q9UIQ6 2/20 0.43
ERAP1 Q9NZ08 1/20 0.43
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MB P02144 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL6020093 0.90 CTSL (0.58) CTSLCTSSCTSBCTSKMEN1
SCHEMBL6019941 0.86 CTSL (0.76) CTSLCTSSCTSBCTSK
SCHEMBL6020964 0.86 CTSL (0.58) CTSLCTSSCTSBCTSKCA1
SCHEMBL6020801 0.85 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL6021561 0.85 CTSS (0.61) CTSLCTSSCTSBCTSKCA2
SCHEMBL6019331 0.83 CTSL (0.62) CTSLCHRM3CHRM2CTSSCTSB
SCHEMBL6021163 0.82 CTSB (0.44) CTSLCTSSCTSBCTSKMEN1
SCHEMBL4367283 0.82 CTSL (0.56) CTSLCA1CA2CA12CYP3A4
SCHEMBL4361682 0.82 CTSL (0.56) CTSLCA1CA2CA12CYP3A4
SCHEMBL6019931 0.81 CTSL (0.50) CTSLCHRM3CHRM2CTSSCTSB

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 2274/4885CHRM3 1032/4885CHRM2 630/4885

“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.