SCHEMBL6630288

SCHEMBL6630288

CCC[C@H](NC(=O)[C@@H](F)CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
PTPN1 P18031 5/20 0.37
PTPN2 P17706 3/20 0.37
MAPT P10636 2/20 0.36
XDH P47989 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 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
SCHEMBL6698500 1.00 FAAH (0.38) FAAHCES1DAGLAPTPN1PTPN2
SCHEMBL6698496 1.00 FAAH (0.38) FAAHCES1DAGLAPTPN1PTPN2
SCHEMBL5424294 0.81 HDAC3 (0.37) PTPN1PTPN2MAPTNPC1RAB9A
SCHEMBL5424298 0.81 HDAC3 (0.37) PTPN1PTPN2MAPTNPC1RAB9A
SCHEMBL5424669 0.80 PTPN1 (0.41) PTPN1PTPN2MAPTHDAC3HDAC4
SCHEMBL5424670 0.80 PTPN1 (0.41) PTPN1PTPN2MAPTHDAC3HDAC4
SCHEMBL6462287 0.79 FAAH (0.44) FAAHCES1DAGLAMAPTXDH
SCHEMBL6629760 0.79 FAAH (0.47) FAAHCES1DAGLAXDHCYP3A4
SCHEMBL6629762 0.79 FAAH (0.47) FAAHCES1DAGLAXDHCYP3A4
SCHEMBL6629768 0.79 FAAH (0.47) FAAHCES1DAGLAXDHCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FAAH 602/4885CES1 154/4885DAGLA 1772/4885

“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.