SCHEMBL6021073

SCHEMBL6021073

Cc1ccc(CNC(=O)NC(Cc2csc3ccccc23)C(=O)NCC#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.65
CTSS P25774 5/20 0.65
CTSK P43235 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KLKB1 P03952 2/20 0.45
KLK1 P06870 2/20 0.45
CTSB P07858 3/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
ANPEP P15144 1/20 0.44

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
SCHEMBL6020175 0.94 CTSL (0.69) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6020230 0.92 CTSL (0.54) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6020525 0.90 CTSL (0.61) CTSLCTSSCTSKTP53CTSB
SCHEMBL6020575 0.86 CTSS (0.64) CTSLCTSSCTSKSMN1; SMN2CTSB
SCHEMBL6021563 0.85 CTSS (0.58) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6447605 0.85 CTSL (0.66) CTSLCTSSCTSKCTSBANPEP
SCHEMBL6020582 0.84 CTSS (0.74) CTSLCTSSCTSKCTSB
SCHEMBL6019355 0.83 CTSS (0.66) CTSLCTSSCTSKSMN1; SMN2CTSB
SCHEMBL6021043 0.83 ATM (0.69) CTSLCTSSCTSKSMN1; SMN2ATM
SCHEMBL6020225 0.83 SMN1; SMN2 (0.53) CTSLCTSSCTSKSMN1; SMN2TP53

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 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.