SCHEMBL8258104

SCHEMBL8258104

CCC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)NC1(C#N)CCN(CCCN2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSL P07711 8/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 5/20 0.33
CTSB P07858 2/20 0.33
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL8251702 0.93 CTSS (0.46) CTSSCTSLCTSKCTSB
SCHEMBL6210402 0.85 CTSS (0.43) CTSSCTSLHSD17B10CTSKCTSB
SCHEMBL8256796 0.84 CTSS (0.44) CTSSCTSLCTSKCTSB
SCHEMBL6837095 0.84 CTSL (0.37) CTSSCTSLCTSKCTSB
SCHEMBL6832858 0.83 CTSL (0.37) CTSSCTSLALDH1A1CTSKCTSB
SCHEMBL8258089 0.83 CTSS (0.44) CTSSCTSLCTSKCTSB
SCHEMBL6836868 0.83 CTSL (0.36) CTSSCTSLHPGDPOLBCTSK
SCHEMBL6501266 0.82 CTSL (0.35) CTSSCTSLCTSKCTSB
SCHEMBL7685576 0.82 CTSL (0.38) CTSSCTSLCTSKCTSB
SCHEMBL6836712 0.82 CTSL (0.38) CTSSCTSLHPGDPOLBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US 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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSS 1/4885CTSL 10/4885HPGD 2781/4885

“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.