SCHEMBL3619447

SCHEMBL3619447

O=C(O)CC(NC=NS(=O)(=O)c1ccccc1)SCc1ccccc1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
ALKBH1 Q13686 1/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 1/20 0.31
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3625350 0.88 KMT2A (0.32) KMT2AHPGDLMNAMAPT
SCHEMBL3619446 0.81 ALDH1A1 (0.33) CA12CA1CA2CA9KMT2A
SCHEMBL3615505 0.78 NPC1 (0.32)
SCHEMBL3625348 0.76 CTSS (0.37)
SCHEMBL3621944 0.72 CTSS (0.33) KMT2APOLBHPGDLMNAALDH1A1
SCHEMBL3621118 0.72 CTSS (0.32) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL3621114 0.71 CTSS (0.40)
SCHEMBL8299221 0.71 CTSS (0.40)
SCHEMBL3135922 0.64 CXCL8 (0.58) KMT2AL3MBTL1ALKBH1
SCHEMBL29718735 0.64 CXCL8 (0.58) KMT2AL3MBTL1ALKBH1

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 CA12 1740/4885CA1 992/4885CA2 1088/4885

“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.