SCHEMBL6466564

SCHEMBL6466564

O=C(NC(CS(=O)(=O)Cc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.41
FAAH O00519 2/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.40
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
ECE1 P42892 1/20 0.36

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
SCHEMBL6465501 0.89 LONP1 (0.43) DAGLAFAAHCES1
SCHEMBL6062009 0.88 LONP1 (0.42) DAGLAFAAHCES1
SCHEMBL7043352 0.85 DAGLA (0.39) DAGLAFAAHCES1CTSSRAB9A
SCHEMBL7049518 0.84 DAGLA (0.46) DAGLAFAAHCES1ALDH1A1
SCHEMBL6466062 0.82 DAGLA (0.37) DAGLAFAAHCES1CTSSKDM4E
SCHEMBL6466567 0.81 CTSS (0.47) DAGLAFAAHCES1LMNACTSS
SCHEMBL7048614 0.81 DAGLA (0.41) DAGLAFAAHCES1LMNACTSS
SCHEMBL6468438 0.80 FAAH (0.40) DAGLAFAAHCES1CTSSCYP3A4
SCHEMBL6462866 0.78 FAAH (0.38) DAGLAFAAHCES1CTSSALDH1A1
SCHEMBL7046391 0.77 FAAH (0.37) DAGLAFAAHCES1CTSSKDM4E

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.