SCHEMBL6062273

SCHEMBL6062273

O=C(CCCCCNC(=O)C(CCSc1ccccc1)NC(=O)N1CCOCC1)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
CES1 P23141 2/20 0.44
DAGLA Q9Y4D2 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR2 P21452 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSS P25774 4/20 0.38
CAPN1 P07384 1/20 0.38
FKBP1A P62942 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7116249 0.85 FAAH (0.45) FAAHCES1DAGLATACR2RAB9A
SCHEMBL6630786 0.82 DAGLA (0.52) FAAHCES1DAGLACTSS
SCHEMBL6062269 0.81 CTSS (0.49) MEN1ALDH1A1HTTKMT2ACTSS
SCHEMBL6463188 0.78 DAGLA (0.48) FAAHCES1DAGLAMEN1ALDH1A1
SCHEMBL5731270 0.77 TACR2 (0.43) FAAHCES1DAGLAMEN1ALDH1A1
SCHEMBL6062265 0.77 CTSS (0.41) FAAHCES1MEN1ALDH1A1HTT
SCHEMBL6467366 0.77 DAGLA (0.47) FAAHCES1DAGLAMEN1ALDH1A1
SCHEMBL6063819 0.76 TACR2 (0.37) FAAHCES1DAGLAMEN1ALDH1A1
SCHEMBL7043175 0.74 DAGLA (0.46) FAAHCES1DAGLAMEN1ALDH1A1
SCHEMBL6467703 0.73 FAAH (0.40) FAAHCES1DAGLAMEN1ALDH1A1

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.