SCHEMBL6463188

SCHEMBL6463188

O=C(CCCCCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.48
FAAH O00519 6/20 0.48
CES1 P23141 4/20 0.48
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR2 P21452 2/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6467366 0.99 DAGLA (0.47) DAGLAFAAHCES1NAMPTMEN1
SCHEMBL7043175 0.97 DAGLA (0.46) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL7045524 0.92 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL6467383 0.90 FAAH (0.40) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL6467703 0.90 FAAH (0.40) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL6062448 0.88 FAAH (0.38) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL7047102 0.88 FAAH (0.38) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL6463801 0.88 FAAH (0.38) DAGLAFAAHCES1NAMPTMEN1
SCHEMBL6461887 0.88 DRD2 (0.41) DAGLAFAAHCES1MEN1ALDH1A1
SCHEMBL6063913 0.87 FAAH (0.37) DAGLAFAAHCES1MEN1ALDH1A1

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 DAGLA 2304/4885FAAH 479/4885CES1 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.