SCHEMBL3617800

SCHEMBL3617800

O=C(CC(NC(=NS(=O)(=O)c1ccccc1)N1CCOCC1)C1CCCCC1)NCCCC(O)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.37
F2 P00734 2/20 0.36
ALDH1A1 P00352 3/20 0.34
TACR2 P21452 2/20 0.34
TACR3 P29371 2/20 0.34
HSD17B10 Q99714 1/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
MET P08581 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL3608969 1.00 CTSS (0.37) CTSSF2ALDH1A1TACR2TACR3
SCHEMBL3623534 0.88 CTSS (0.42) CTSSF2ALDH1A1TACR2TACR3
SCHEMBL3620998 0.79 CTSS (0.35) CTSSLMNAMETKDR
SCHEMBL3608967 0.77 CTSS (0.37) CTSSF2ALDH1A1HSD17B10HTT
SCHEMBL6206920 0.71 CTSS (0.41) CTSSALDH1A1HTTL3MBTL1LMNA
SCHEMBL3623529 0.70 CTSS (0.42) CTSSMETKDR
SCHEMBL13504904 0.69 CTSS (0.52) CTSS
SCHEMBL8300581 0.67 CTSS (0.50) CTSS
SCHEMBL5704353 0.67 CTSS (0.50) CTSS
SCHEMBL7259493 0.66 CTSS (0.45) CTSS

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSS 3/4885F2 170/4885ALDH1A1 4189/4885

“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.