SCHEMBL390634

SCHEMBL390634

Cc1ccccc1C[C@H](CS)C(=O)NC[C@H](O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.46
ALDH1A1 P00352 3/20 0.46
ACE P12821 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ECE1 P42892 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.43

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
SCHEMBL28706326 1.00 MME (0.46) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL29445859 1.00 MME (0.46) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL20564898 0.86 HPGD (0.45) ALDH1A1HPGDMAPTPPARGHTT
SCHEMBL5310761 0.86 HPGD (0.45) ALDH1A1HPGDMAPTPPARGHTT
SCHEMBL9344020 0.86 HPGD (0.45) ALDH1A1HPGDMAPTPPARGHTT
SCHEMBL9227082 0.83 CYP1A2 (0.47) MMEALDH1A1ACEHPGDMAPT
SCHEMBL9516943 0.82 MME (0.67) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL1826830 0.75 PPARG (0.51) ALDH1A1HPGDKMT2APPARGHTT
SCHEMBL10170668 0.75 PPARG (0.51) ALDH1A1HPGDKMT2APPARGHTT
SCHEMBL10170669 0.75 PPARG (0.51) ALDH1A1HPGDKMT2APPARGHTT

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US claimed
WO-2018211479-A1 STABILIZED COMPOSITIONS OF ANGIOTENSIN II INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2018-11-22 WO claimed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US claimed
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2012-06-07 US claimed
JP-4820056-B2 2011-11-24 JP claimed
US-20080262059-A1 AT 1-antagonist vaisertan or a pharmaceutically acceptable salt thereof; and(ii) a NEP inhibitor or a pharmaceutically acceptable salt thereof and optionally a pharmaceutically acceptable carrier and to a method for the treatment or prevention of a condition or diseaseselected from hypertension NOVARTIS AG (CH) 2008-10-23 US claimed
US-20080261958-A1 Combination of Organic Compounds WEBB RANDY LEE 2008-10-23 US claimed
EP-1951309-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT Novartis AG (CH) 2008-08-06 EP claimed
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders WEBB RANDY LEE 2008-05-22 US claimed
EP-1863467-A2 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (US) 2007-12-12 EP claimed
WO-2006086456-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-08-17 WO claimed
EP-1467728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS Novartis AG (CH) 2004-10-20 EP claimed
US-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders NOVARTIS PHARMACEUTICALS CORPORATION 2003-07-31 US claimed
WO-2003059345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS NOVARTIS AG (CH) 2003-07-24 WO claimed
EP-0605589-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NATRIURETIC PEPTIDES OR NEUTRAL ENDOPEPTIDASE INHIBITORS FOR TREATING OR PREVENTING MYOINTIMAL PROLIFERATION SCHERING CORPORATION (US) 1994-07-13 EP claimed
WO-1993010773-A1 USE OF NEUTRAL ENDOPEPTIDASE INHIBITORS IN THE TREATMENT OF LEFT VENTRICULAR HYPERTROPHY SCHERING-PLOUGH S.P.A. (IT) 1993-06-10 WO claimed
WO-1993005809-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NATRIURETIC PEPTIDES OR NEUTRAL ENDOPEPTIDASE INHIBITORS FOR TREATING OR PREVENTING MYOINTIMAL PROLIFERATION SCHERING CORPORATION (US) 1993-04-01 WO claimed
EP-0533084-A1 Pharmaceutical compositions comprising natriuretic peptides or neutral endopeptidase inhibitors for treating and preventing myointimal proliferation SCHERING CORPORATION (US) 1993-03-24 EP claimed
WO-1992018159-A1 USE OF NEUTRAL ENDOPEPTIDASE INHIBITORS IN THE TREATMENT OF NEPHROTOXICITY SCHERING CORPORATION (US) 1992-10-29 WO claimed
EP-0509442-A1 Use of neutral endopeptidase inhibitors in the treatment of nephrotoxicity SCHERING CORPORATION (US) 1992-10-21 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders MME, REN, AGTR1 MME 1/4885ALDH1A1 2505/4885ACE 8/4885
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, MME, ACE MME 2/4885ALDH1A1 1457/4885ACE 3/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ALDH1A1 1873/4885ACE 34/4885
US-20080261958-A1 Combination of Organic Compounds REN, MME, ACE MME 2/4885ALDH1A1 565/4885ACE 3/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ALDH1A1 1873/4885ACE 34/4885
US-20080262059-A1 AT 1-antagonist vaisertan or a pharmaceutically acceptable salt thereof; and(ii) a NEP inhibitor or a pharmaceutically acceptable salt thereof and optionally a pharmaceutically acceptable carrier and to a method for the treatment or prevention of a condition or diseaseselected from hypertension REN, AGTR1, AGTR2 MME 4/4885ALDH1A1 1580/4885ACE 40/4885
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders MME, REN, ACE MME 1/4885ALDH1A1 1007/4885ACE 3/4885

“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.