SCHEMBL6546381

SCHEMBL6546381

[CH2]CN(CC)S(=O)(=O)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.40
CNR2 P34972 1/20 0.39
CA2 P00918 6/20 0.36
CES1 P23141 4/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL28587125 0.89 FAAH (0.48) FAAHCNR2CA2CES1CES2
SCHEMBL10459109 0.87 FAAH (0.52) FAAHCNR2CA2CES1CES2
SCHEMBL9501865 0.87 FAAH (0.52) FAAHCNR2CA2CES1CES2
SCHEMBL6546923 0.86 CA1 (0.43) FAAHCNR2CA2CES1CES2
SCHEMBL6546110 0.84 FAAH (0.42) FAAHCNR2CA2CES1CES2
SCHEMBL6546991 0.84 FAAH (0.42) FAAHCNR2CA2CES1CES2
SCHEMBL27373743 0.82 CNR2 (0.45) FAAHCNR2CA2
SCHEMBL6545965 0.81 CA2 (0.37) FAAHCNR2CA2CES1
SCHEMBL14229169 0.81 CNR2 (0.46) FAAHCNR2CA2CES1CES2
SCHEMBL6546400 0.79 CA1 (0.44) FAAHCNR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379238-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER Abbott Laboratories (US) 2004-01-14 EP disclosed
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer ABBOTT LABORATORIES 2003-05-15 US disclosed
WO-2002085351-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER ABBOTT LABORATORIES (US) 2002-10-31 WO 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-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer KLK3, ACP3, BPHL FAAH 1986/4885CNR2 4456/4885CA2 4547/4885

“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.