SCHEMBL6546010

SCHEMBL6546010

[CH2]C(=O)N(CCC(C)C)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BLM P54132 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5209300 0.79 CA1 (0.54) CA1CA12CA2CA9ALDH1A1
SCHEMBL27750796 0.79 CA1 (0.42) CA1CA12CA2CA9ALDH1A1
SCHEMBL2337599 0.77 CA1 (0.41) CA1CA12CA2CA9ALDH1A1
SCHEMBL5198515 0.77 CA1 (0.41) CA1CA12CA2CA9ALDH1A1
SCHEMBL4719766 0.77 CA1 (0.41) CA1CA12CA2CA9ALDH1A1
SCHEMBL4269382 0.77 USP2 (0.43) CA1CA12CA2CA9ALDH1A1
SCHEMBL19543361 0.75 CA1 (0.39) CA1CA12CA2CA9ALDH1A1
SCHEMBL2668603 0.75 CA1 (0.39) CA1CA12CA2CA9ALDH1A1
SCHEMBL5208263 0.75 CA12 (0.45) CA1CA12CA2CA9ALDH1A1
SCHEMBL23373533 0.73 CA1 (0.48) CA1CA12CA2CA9ALDH1A1

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 12 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
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
EP-0499266-B1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-10 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 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 CA1 4501/4885CA12 2629/4885CA2 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.