SCHEMBL3620996

SCHEMBL3620996

O=C(CCC1CCCCC1)N(CCCC(O)c1nc2ccccc2o1)NCSC=NS(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 8/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
CTSS P25774 2/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL3608967 0.80 CTSS (0.37) BMP1MMP2MMP3MMP9CTSS
SCHEMBL3620998 0.76 CTSS (0.35) BMP1MMP2MMP3MMP9CTSS
SCHEMBL3623528 0.74 CTSS (0.41) BMP1MMP2MMP3MMP9CTSS
SCHEMBL5703798 0.69 CTSS (0.44) MMP2MMP3CTSS
SCHEMBL3623532 0.67 CTSS (0.41) CTSSRAB9AFAAH
SCHEMBL3615291 0.64 LTA4H (0.39) MMP2MMP3MMP9CTSSRAB9A
SCHEMBL3615288 0.64 LTA4H (0.39) MMP2MMP3MMP9CTSSRAB9A
SCHEMBL6061967 0.63 CTSS (0.46) MMP2MMP3CTSS
SCHEMBL5480066 0.62 CTSS (0.37) CTSS
SCHEMBL6463649 0.62 MEN1 (0.40) BMP1MMP2CTSSNPC1RAB9A

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 BMP1 3755/4885MMP2 372/4885MMP3 566/4885

“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.