SCHEMBL6019931

SCHEMBL6019931

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
CA1 P00915 4/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
CA3 P07451 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
RARG P13631 1/20 0.43
TSHR P16473 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
SCHEMBL6020186 0.90 MEN1 (0.53) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6019322 0.88 CTSL (0.48) CTSLCTSSCTSKCTSBCA1
SCHEMBL6020188 0.86 CTSL (0.53) CTSLCTSSCTSKCTSBCA1
SCHEMBL6019209 0.85 CTSL (0.67) CTSLCTSSCTSKCTSBCA1
SCHEMBL6021818 0.85 CTSS (0.56) CTSLCTSSCTSKCTSBCA2
SCHEMBL6021277 0.82 CTSB (0.42) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6019941 0.82 CTSL (0.76) CTSLCTSSCTSKCTSB
SCHEMBL6019339 0.81 CTSL (0.55) CTSLCTSSCTSKCTSBCA1
SCHEMBL6020456 0.81 CTSB (0.47) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6019331 0.79 CTSL (0.62) CTSLCTSSCTSKCTSBCHRM3

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 10 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
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 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.