SCHEMBL6466976

SCHEMBL6466976

Cc1ccccc1C(C(=O)NCCCCCC(=O)c1nc2ccccc2o1)S(=O)(=O)CCNC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
CES1 P23141 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LIPC P11150 6/20 0.36
LIPG Q9Y5X9 4/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL6462687 0.85 LIPC (0.37) LIPCLIPGKDM4E
SCHEMBL7046717 0.84 KDM4E (0.36) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL6463188 0.80 DAGLA (0.48) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL7047102 0.79 FAAH (0.38) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL6467366 0.79 DAGLA (0.47) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL6462778 0.77 KDM4E (0.39) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL6461887 0.77 DRD2 (0.41) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL7116249 0.77 FAAH (0.45) FAAHCES1DAGLASMN1; SMN2KDM4E
SCHEMBL6467383 0.77 FAAH (0.40) FAAHCES1DAGLAKMT2AALDH1A1
SCHEMBL6467703 0.77 FAAH (0.40) FAAHCES1DAGLAKMT2AALDH1A1

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 479/4885CES1 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.