SCHEMBL806956

SCHEMBL806956

CCC(C)(NC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
KCNN4 O15554 1/20 0.30

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
SCHEMBL4069477 1.00 DGAT1 (0.38) DGAT1ALDH1A1POLBMAPTCA12
SCHEMBL15998215 0.82 MAPT (0.30) MAPT
SCHEMBL10171878 0.82 MAPT (0.46) ALDH1A1MAPTPKMKDM4ETSHR
SCHEMBL18878199 0.82 DGAT1 (0.35) DGAT1ALDH1A1MAPTCA12CA1
SCHEMBL22874322 0.81 DGAT1 (0.38) DGAT1PKMKDM4ETSHRTDP1
SCHEMBL22874331 0.81 DGAT1 (0.38) DGAT1PKMKDM4ETSHRTDP1
SCHEMBL27959952 0.80 MGAM (0.30) ALDH1A1
SCHEMBL21492510 0.79 DGAT1 (0.37) DGAT1
SCHEMBL12600077 0.79 DGAT1 (0.37) DGAT1ALDH1A1POLBMAPTPKM
SCHEMBL19749962 0.79 DGAT1 (0.37) DGAT1ALDH1A1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
EP-2280973-B1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2012-11-28 EP disclosed
WO-2012142523-A2 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 WO disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 WO disclosed
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP disclosed
US-7491825-B2 Basic non-peptide bradykinin antagonists and pharmaceutical compositions therefrom MENARINI RICERCHE S.P.A. (IT) 2009-02-17 US disclosed
US-20060205712-A1 Basic non-peptide bradykinin antagonists and pharmaceutical compositions therefrom MENARINI RIEERCHE S.P.A. (IT) 2006-09-14 US disclosed
EP-1513531-A1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM Menarini Ricerche S.p.A. (IT) 2005-03-16 EP disclosed
WO-2003103671-A1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE S.P.A. (IT) 2003-12-18 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-20060205712-A1 Basic non-peptide bradykinin antagonists and pharmaceutical compositions therefrom BDKRB2, BDKRB1, AGTR2 DGAT1 4744/4885ALDH1A1 4613/4885POLB 3623/4885

“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.