SCHEMBL3615288

SCHEMBL3615288

O=C(O)[C@H](CC1CCCCC1)NCS/C=N/S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
USP30 Q70CQ3 1/20 0.37
CPB2 Q96IY4 2/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL3615291 1.00 LTA4H (0.39) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL5465880 0.82 CPB2 (0.38) CTSLCTSBCTSSCTSKGRN
SCHEMBL5465886 0.82 CPB2 (0.38) CTSLCTSBCTSSCTSKGRN
SCHEMBL3625025 0.81 LTA4H (0.43) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL3615293 0.79 POLB (0.37) POLBRAB9AALDH1A1
SCHEMBL3621718 0.73 CTSS (0.42) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL3621719 0.73 CTSS (0.42) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL5604849 0.72 CTSS (0.59) CTSLCTSBCTSSCTSKUSP30
SCHEMBL3621514 0.71 CTSS (0.60) CTSLCTSBCTSSCTSKUSP30
SCHEMBL13504861 0.71 CTSS (0.60) CTSLCTSBCTSSCTSKUSP30

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 4 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
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO 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 LTA4H 334/4885CTSL 9/4885CTSB 2/4885

“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.