SCHEMBL3623532

SCHEMBL3623532

O=C(CCCN(NC(=NS(=O)(=O)c1ccccc1)N1CCOCC1)C(=O)CCC1CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.41
FAAH O00519 5/20 0.36
CES1 P23141 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL3608967 0.88 CTSS (0.37) CTSSALDH1A1HIF1AMEN1KMT2A
SCHEMBL3623528 0.82 CTSS (0.41) CTSSFAAHCES1DAGLARAB9A
SCHEMBL3623534 0.77 CTSS (0.42) CTSSFAAHCES1DAGLAKDM4E
SCHEMBL13504904 0.74 CTSS (0.52) CTSSCYP3A4CYP2C9
SCHEMBL3620433 0.73 FAAH (0.40) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3611913 0.70 DAGLA (0.41) CTSSFAAHCES1DAGLAKMT2A
SCHEMBL8300581 0.68 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL3620996 0.67 BMP1 (0.35) CTSSFAAHRAB9A
SCHEMBL3617800 0.66 CTSS (0.37) CTSSALDH1A1MEN1KMT2AHTT
SCHEMBL3608969 0.66 CTSS (0.37) CTSSALDH1A1MEN1KMT2AHTT

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.