SCHEMBL6545965

SCHEMBL6545965

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.37
FAAH O00519 2/20 0.35
MMP3 P08254 2/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.32
CES1 P23141 4/20 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
SCHEMBL6547134 0.95 CNR2 (0.33) CA2MMP3CNR2TP53
SCHEMBL6546529 0.87 TAS2R14 (0.31)
SCHEMBL14228928 0.84 CNR2 (0.39) CA2FAAHMMP3CNR2TP53
SCHEMBL14228930 0.82 CNR2 (0.41) CA2FAAHMMP3CNR2TP53
SCHEMBL6546381 0.81 FAAH (0.40) CA2FAAHCNR2CES1
SCHEMBL6546923 0.79 CA1 (0.43) CA2FAAHCNR2CES1
SCHEMBL14229123 0.78 CNR2 (0.40) CA2MMP3CNR2TP53
SCHEMBL6546991 0.78 FAAH (0.42) CA2FAAHCNR2CES1
SCHEMBL6546110 0.78 FAAH (0.42) CA2FAAHCNR2CES1
SCHEMBL14200434 0.77 CA2 (0.33) CA2FAAHMMP3CNR2CES1

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 CA2 4547/4885FAAH 1986/4885MMP3 52/4885

“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.