SCHEMBL386632

SCHEMBL386632

O=C(O)c1csc(NC(=O)C(CS)Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.51
ACE P12821 3/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
ECE1 P42892 1/20 0.50
BLM P54132 1/20 0.50
NPEPPS P55786 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
CPA3 P15088 1/20 0.48
FOLH1 Q04609 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7346217 0.83 MME (0.69) MMEACEALDH1A1MAPK1HPGD
SCHEMBL27677789 0.82 L3MBTL1 (0.54) MMEMAPK1L3MBTL1TP53
SCHEMBL28767638 0.82 L3MBTL1 (0.54) MMEMAPK1L3MBTL1TP53
SCHEMBL3817488 0.82 L3MBTL1 (0.54) MMEMAPK1L3MBTL1TP53
SCHEMBL7378782 0.78 MME (0.50) MMEACEALDH1A1MAPK1HPGD
SCHEMBL9724834 0.78 PKM (0.61) MMEACEALDH1A1MAPK1HPGD
SCHEMBL9724924 0.76 CSNK1D (0.60) MMEACEALDH1A1MAPK1HPGD
SCHEMBL3814091 0.74 CTSS (0.57) ACE
SCHEMBL27677878 0.74 CTSS (0.57) ACE
SCHEMBL7271417 0.74 MME (0.65) MMEACEALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038379-A1 PHARMACEUTICAL COMPOSITION WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2020-02-06 US claimed
CN-110237071-A Pharmaceutical preparation and its application 武汉朗来科技发展有限公司 2019-09-17 CN claimed
CN-110237072-A The preparation method of pharmaceutical composition 武汉朗来科技发展有限公司 2019-09-17 CN claimed
WO-2019170135-A1 MEDICINE COMPOSITION PREPARATION METHOD 武汉朗来科技发展有限公司 2019-09-12 WO claimed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US claimed
WO-2019170136-A1 PHARMACEUTICAL FORMULATION AND USE THEREOF 武汉朗来科技发展有限公司 2019-09-12 WO claimed
EP-3524250-A1 PHARMACEUTICAL COMPOSITION Wuhan LL Science And Technology Development Co., Ltd. (CN) 2019-08-14 EP claimed
CN-109803657-A Pharmaceutical composition 武汉朗来科技发展有限公司 2019-05-24 CN 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-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
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-2007056324-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT NOVARTIS AG (CH) 2007-05-18 WO claimed
WO-2007045663-A2 COMBINATION OF AN ATI RECEPTOR ANTAGONIST AND A NP INHIBITOR FRO TREATING IA HYPERTENSION AND HEARTFAILURE NOVARTIS AG (CH) 2007-04-26 WO 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

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

For each of this compound's patents that has machine-readable text (6 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 1/4885ACE 8/4885ALDH1A1 2505/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ACE 34/4885ALDH1A1 1873/4885
US-20200038379-A1 PHARMACEUTICAL COMPOSITION MME, ANPEP, TMPRSS15 MME 1/4885ACE 32/4885ALDH1A1 2416/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ACE 34/4885ALDH1A1 1873/4885
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 4/4885ACE 40/4885ALDH1A1 1580/4885
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 1/4885ACE 3/4885ALDH1A1 1007/4885

“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.