SCHEMBL6062269

SCHEMBL6062269

CCCC[C@H](NC(=O)C(CCSc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.49
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7116243 0.86 CTSS (0.49) CTSSCYP3A4CYP2C9
SCHEMBL6463186 0.83 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL6062265 0.83 CTSS (0.41) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL14523317 0.82 CTSS (0.43) CTSSCYP3A4CYP2C9
SCHEMBL6062273 0.81 FAAH (0.44) CTSSMEN1ALDH1A1HTTKMT2A
SCHEMBL6466973 0.80 CTSS (0.45) CTSSCYP3A4CYP2C9
SCHEMBL6467379 0.80 CTSS (0.44) CTSSCYP3A4CYP2C9
SCHEMBL6467699 0.80 CTSS (0.42) CTSSCYP3A4CYP2C9
SCHEMBL14523321 0.79 CTSS (0.46) CTSSCYP3A4CYP2C9
SCHEMBL6467363 0.79 CTSS (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
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 9/4885MEN1 4023/4885ALDH1A1 3027/4885

“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.