SCHEMBL3615293

SCHEMBL3615293

O=C(O)CC(NCSC=NS(=O)(=O)c1ccccc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
PLAU P00749 1/20 0.33
HPN P05981 1/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
PGR P06401 1/20 0.32
PPARG P37231 1/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 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
SCHEMBL3615291 0.79 LTA4H (0.39) POLBRAB9AALDH1A1
SCHEMBL3615288 0.79 LTA4H (0.39) POLBRAB9AALDH1A1
SCHEMBL3620998 0.76 CTSS (0.35) LMNA
SCHEMBL5604851 0.71 CTSK (0.39) POLBRAB9ATSHRPLAUHPN
SCHEMBL3621517 0.70 CTSK (0.39) POLBRAB9APLAUHPN
SCHEMBL5606180 0.69 CTSS (0.39)
SCHEMBL3625025 0.65 LTA4H (0.43) POLBRAB9ATSHREPHX2
SCHEMBL3618544 0.63 KMT2A (0.47) POLBRAB9AALDH1A1LMNAKMT2A
SCHEMBL7446688 0.63 FFAR1 (0.45) RAB9AALDH1A1LMNATSHRGAA
SCHEMBL3621718 0.62 CTSS (0.42)

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 POLB 3451/4885RAB9A 966/4885ALDH1A1 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.