SCHEMBL3608967

SCHEMBL3608967

O=C(CCC1CCCCC1)N(CCCC(O)c1nc2ccccc2o1)NC(=NS(=O)(=O)c1ccccc1)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.37
BMP1 P13497 6/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
F2 P00734 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3623532 0.88 CTSS (0.41) CTSSALDH1A1HIF1AMEN1KMT2A
SCHEMBL3620996 0.80 BMP1 (0.35) CTSSBMP1MMP2MMP3MMP9
SCHEMBL3617800 0.77 CTSS (0.37) CTSSALDH1A1MEN1KMT2AHTT
SCHEMBL3608969 0.77 CTSS (0.37) CTSSALDH1A1MEN1KMT2AHTT
SCHEMBL3623528 0.69 CTSS (0.41) CTSSBMP1MMP2MMP3MMP9
SCHEMBL13504904 0.69 CTSS (0.52) CTSS
SCHEMBL3623534 0.68 CTSS (0.42) CTSSALDH1A1MEN1KMT2AHTT
SCHEMBL8300581 0.62 CTSS (0.50) CTSS
Hydrochloric Acid SCHEMBL7255797 0.62 CTSS (0.47) CTSSMMP2MMP3ALDH1A1HTT
SCHEMBL7259493 0.61 CTSS (0.45) CTSSMMP2MMP3MMP9

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 3/4885BMP1 3755/4885MMP2 372/4885

“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.