SCHEMBL3623534

SCHEMBL3623534

O=C(CC(NC(=NS(=O)(=O)c1ccccc1)N1CCOCC1)C1CCCCC1)NCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.42
F2 P00734 2/20 0.36
FAAH O00519 2/20 0.36
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TACR2 P21452 1/20 0.34
TACR3 P29371 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3608969 0.88 CTSS (0.37) CTSSF2ALDH1A1TACR2TACR3
SCHEMBL3617800 0.88 CTSS (0.37) CTSSF2ALDH1A1TACR2TACR3
SCHEMBL3623529 0.82 CTSS (0.42) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL3623532 0.77 CTSS (0.41) CTSSFAAHCES1DAGLAKDM4E
SCHEMBL7049550 0.77 DAGLA (0.46) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL13504904 0.74 CTSS (0.52) CTSSCYP3A4CYP2C9
SCHEMBL8300581 0.73 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL5704353 0.73 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL3620435 0.73 FAAH (0.39) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL5731270 0.70 TACR2 (0.43) CTSSFAAHCES1DAGLAKDM4E

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 3/4885F2 170/4885FAAH 341/4885

“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.