SCHEMBL6461829

SCHEMBL6461829

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.43
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
KDM4E B2RXH2 1/20 0.35
CTSK P43235 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTSH P09668 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL6463182 0.98 CTSS (0.43) CTSSCTSLCTSBKDM4ECTSK
SCHEMBL7043169 0.95 CTSS (0.44) CTSSCTSLCTSBKDM4ECTSK
SCHEMBL6062849 0.93 CTSS (0.42) CTSSCTSLCTSBKDM4ECTSK
SCHEMBL7045520 0.91 FAAH (0.36) CTSSCTSKCYP3A4CYP2C9
SCHEMBL6461878 0.89 CTSS (0.37) CTSSKDM4E
SCHEMBL6466966 0.89 CTSS (0.37) CTSSKDM4E
SCHEMBL6063811 0.88 CTSS (0.35) CTSSCTSLCTSBKDM4ECYP3A4
SCHEMBL6467696 0.88 CTSS (0.35) CTSSCTSLKDM4ECTSKCYP3A4
SCHEMBL6467376 0.88 CTSS (0.37) CTSSCTSLCTSBKDM4ECTSK
SCHEMBL6468438 0.88 FAAH (0.40) CTSSCYP3A4CYP2C9

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.