SCHEMBL6467519

SCHEMBL6467519

O=C(NC(CS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.38
CTSL P07711 5/20 0.37
CTSB P07858 5/20 0.37
DAGLA Q9Y4D2 3/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
CTSK P43235 2/20 0.34
CTSH P09668 1/20 0.34
CTSC P53634 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6463796 0.92 CTSS (0.35) CTSSCTSLFAAHCES1CTSK
SCHEMBL6468761 0.90 CTSS (0.40) CTSSCTSLCTSBDAGLAFAAH
SCHEMBL7044830 0.90 CTSS (0.40) CTSSCTSLCTSBDAGLAFAAH
SCHEMBL6462678 0.90 CTSS (0.40) CTSSCTSLCTSBDAGLAFAAH
SCHEMBL6467523 0.84 CTSS (0.41) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6461829 0.84 CTSS (0.43) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6463182 0.83 CTSS (0.43) CTSSCTSLCTSBFAAHCES1
SCHEMBL7048614 0.83 DAGLA (0.41) CTSSCTSLCTSBDAGLAFAAH
SCHEMBL6062849 0.83 CTSS (0.42) CTSSCTSLCTSBDAGLAFAAH
SCHEMBL7043169 0.82 CTSS (0.44) CTSSCTSLCTSBCTSKCTSH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.