SCHEMBL6021023

SCHEMBL6021023

CC(C)(Cc1csc2ccccc12)C(=O)NCCC#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTNR1A P48039 1/20 0.41
CYP2A6 P11509 2/20 0.41
IDO1 P14902 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 2/20 0.38
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 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
SCHEMBL6021036 0.89 CTSL (0.55) CTSLCTSSCTSKCYP2D6SMN1; SMN2
SCHEMBL6019708 0.86 CTSL (0.44) CTSLCTSSCTSKCYP2D6SMN1; SMN2
SCHEMBL6020198 0.77 MEN1 (0.49) CTSLCTSSCTSK
SCHEMBL6020591 0.76 MMP8 (0.48) CTSLCTSSCTSKPOLBMAPT
SCHEMBL10950583 0.76 CYP2A6 (0.54) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6019645 0.74 DPP4 (0.51) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6020070 0.73 CTSS (0.62) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6021383 0.73 CTSS (0.84) CTSLCTSSCTSK
SCHEMBL6021017 0.73 ALDH1A1 (0.43) CTSLCTSSCTSKCYP2D6SMN1; SMN2
SCHEMBL14615462 0.73 IDO1 (0.59) SMN1; SMN2TP53RXFP1MTNR1ACYP2A6

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.