SCHEMBL6461887

SCHEMBL6461887

COc1ccccc1CS(=O)(=O)C(CNC(=O)N1CCOCC1)C(=O)NCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
FAAH O00519 3/20 0.37
CES1 P23141 2/20 0.37
DAGLA Q9Y4D2 1/20 0.37
BRD4 O60885 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
SCHEMBL6467763 0.92 FAAH (0.36) DRD2ADRA1ADRD3LMNAMAPT
SCHEMBL6063913 0.91 FAAH (0.37) DRD2ADRA1ADRD3LMNAMAPT
SCHEMBL6467383 0.89 FAAH (0.40) MAPTFAAHCES1DAGLASMN1; SMN2
SCHEMBL6467366 0.88 DAGLA (0.47) LMNAMAPTFAAHCES1DAGLA
SCHEMBL6463188 0.88 DAGLA (0.48) FAAHCES1DAGLAKDM4EALDH1A1
SCHEMBL6462832 0.87 DAGLA (0.43) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL7043208 0.87 FAAH (0.41) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL7114802 0.87 LMNA (0.38) DRD2ADRA1ADRD3LMNAMAPT
SCHEMBL6062448 0.87 FAAH (0.38) MAPTFAAHCES1DAGLASMN1; SMN2
SCHEMBL6463801 0.86 FAAH (0.38) LMNAMAPTHDAC1FAAHCES1

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 DRD2 4800/4885ADRA1A 4653/4885DRD3 4415/4885

“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.