SCHEMBL6063879

SCHEMBL6063879

CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.49
CTSL P07711 2/20 0.46
FAAH O00519 1/20 0.42
ELANE P08246 3/20 0.41
PSMB5 P28074 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL7049546 0.86 CTSK (0.51) CTSSCTSLCYP3A4CYP2C9CTSK
SCHEMBL6061690 0.86 CTSS (0.49) CTSSCTSLCYP3A4CYP2C9CTSB
SCHEMBL6462739 0.86 CTSS (0.49) CTSSCTSLCYP3A4CYP2C9CTSB
SCHEMBL7046177 0.86 CTSS (0.49) CTSSCTSLCYP3A4CYP2C9CTSB
SCHEMBL6062874 0.81 CTSS (0.45) CTSSCTSLFAAHCYP3A4CYP2C9
SCHEMBL6463201 0.80 CTSS (0.47) CTSSFAAHELANE
SCHEMBL5520898 0.78 CTSS (0.53) CTSSCYP3A4CYP2C9
SCHEMBL5945992 0.78 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL5945997 0.78 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL12196282 0.78 CTSS (0.72) CTSSCTSLELANECTSK

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 4 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
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 18/4885FAAH 479/4885

“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.