SCHEMBL6463801

SCHEMBL6463801

O=C(CCCCCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
DAGLA Q9Y4D2 3/20 0.38
CES1 P23141 2/20 0.38
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6467383 0.89 FAAH (0.40) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6463188 0.88 DAGLA (0.48) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6467366 0.87 DAGLA (0.47) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6062448 0.87 FAAH (0.38) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6461887 0.86 DRD2 (0.41) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6063913 0.86 FAAH (0.37) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6467525 0.86 CTSS (0.35) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6467763 0.85 FAAH (0.36) FAAHDAGLACES1KMT2AMEN1
SCHEMBL7043175 0.85 DAGLA (0.46) FAAHDAGLACES1KMT2AMEN1
SCHEMBL6467703 0.84 FAAH (0.40) FAAHDAGLACES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
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 FAAH 479/4885DAGLA 2304/4885CES1 272/4885

“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.