SCHEMBL3623528

SCHEMBL3623528

O=C(CCCN(NC=NS(=O)(=O)c1ccccc1)C(=O)CCC1CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.41
FAAH O00519 5/20 0.40
CES1 P23141 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40
BMP1 P13497 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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 0.82 CTSS (0.41) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3622455 0.78 FAAH (0.35) CTSSFAAHCES1DAGLANPC1
SCHEMBL3620996 0.74 BMP1 (0.35) CTSSFAAHBMP1MMP2MMP3
SCHEMBL3623529 0.73 CTSS (0.42) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3620433 0.71 FAAH (0.40) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3608967 0.69 CTSS (0.37) CTSSBMP1MMP2MMP3MMP9
SCHEMBL3611913 0.69 DAGLA (0.41) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3613201 0.65 FAAH (0.36) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL6635584 0.64 CTSS (0.51) CTSSFAAHCES1DAGLAMMP2
SCHEMBL6465141 0.64 CTSS (0.48) CTSSFAAHCES1DAGLACYP3A4

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 3/4885FAAH 341/4885CES1 156/4885

“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.