SCHEMBL6062665

SCHEMBL6062665

CC(=O)NCCC(C)CCS(=O)(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
XDH P47989 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL6466202 0.79 LMNA (0.36) MTNR1AMTNR1BPOLBLMNAMAPT
SCHEMBL6466231 0.78 FAAH (0.35) LMNAMAPTXDHHTTSMN1; SMN2
SCHEMBL7049043 0.75 MAPT (0.38) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL6062570 0.74 CTSS (0.43) MTNR1AMTNR1BXDH
SCHEMBL7043318 0.74 PPARG (0.34) XDHFAAHCES1DAGLA
SCHEMBL6467037 0.73 FAAH (0.36) MTNR1AMTNR1BLMNAMAPTXDH
SCHEMBL7049306 0.72 DAGLA (0.44) POLBLMNAMAPTXDHHTT
SCHEMBL6462741 0.71 FAAH (0.36) LMNAMAPTXDHPTPN1PTPN2
Hydrochloric Acid SCHEMBL6465937 0.70 FAAH (0.35) LMNAMAPTXDHPTPN1PTPN2
SCHEMBL7049542 0.69 MAPT (0.40) LMNAMAPTHTTSMN1; SMN2TP53

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 MTNR1A 3929/4885MTNR1B 3535/4885L3MBTL1 3185/4885

“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.