SCHEMBL6021069

SCHEMBL6021069

N#CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NC1CC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
KDM1A O60341 1/20 0.52
BRS3 P32247 4/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
BCHE P06276 1/20 0.48
NMBR P28336 3/20 0.47
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47
TACR1 P25103 1/20 0.47

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
SCHEMBL6021269 0.92 CTSL (0.65) CTSLKDM1ABRS3CTSSCTSK
SCHEMBL6020108 0.84 CTSS (0.48) CTSLKDM1ACTSSCTSK
SCHEMBL6018654 0.83 CTSL (0.55) CTSLBRS3CTSSCTSKBCHE
SCHEMBL6019487 0.83 CTSL (0.51) CTSLKDM1ACTSSCTSK
SCHEMBL6021425 0.82 BRS3 (0.68) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6020673 0.81 EPHX2 (0.61) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6021063 0.81 KDM1A (0.51) CTSLKDM1ACTSSCTSKNMBR
SCHEMBL6020860 0.81 CTSL (0.50) CTSLKDM1ACTSSCTSK
SCHEMBL6021895 0.80 FPR2 (0.58) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6020911 0.80 CTSL (0.83) CTSLBRS3CTSSCTSKNMBR

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 8 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
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 2274/4885KDM1A 1111/4885BRS3 1592/4885

“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.