SCHEMBL2140

SCHEMBL2140

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.54
LTB4R2 Q9NPC1 11/20 0.52
ABCB11 O95342 1/20 0.52
GP6 Q9HCN6 1/20 0.52
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL29378073 1.00 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL1809623 1.00 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL3473572 0.91 FFAR1 (0.46) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL3473577 0.91 FFAR1 (0.46) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL2441623 0.90 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL2032 0.90 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL29561367 0.90 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL1808771 0.90 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL2033 0.90 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL1810055 0.89 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20120238761-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-09-20 US disclosed
US-20120238761-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-09-20 US disclosed
US-20120238761-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-09-20 US disclosed
EP-2493848-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS Novartis AG (CH) 2012-09-05 EP disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
WO-2011051213-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-05-05 WO disclosed
WO-2011051213-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-05-05 WO disclosed
US-7361770-B2 Process for preparation of valsartan HETERO DRUGS LIMITED (IN) 2008-04-22 US disclosed
US-20060281801-A1 Process for the preparation of valsartan and its intermediates IPCA LABORATORIES LIMITED (IN) 2006-12-14 US disclosed
EP-1714963-A1 Process for the Preparation of Valsartan and its Intermediates IPCA Laboratories Limited (IN) 2006-10-25 EP disclosed
US-20060100443-A1 Novel process for preparation of valsartan HETERO DRUGS LIMITED (IN) 2006-05-11 US disclosed
WO-2005049588-A1 PROCESS FOR ISOLATION OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
WO-2004111018-A1 A NOVEL PROCESS FOR PREPARATION OF VALSARTAN HETERO DRUGS LIMITED (IN) 2004-12-23 WO disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP 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 (4 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-20060281801-A1 Process for the preparation of valsartan and its intermediates ACE, REN, AGT AGTR1 16/4885LTB4R2 2327/4885ABCB11 1196/4885
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE AGTR1 6/4885LTB4R2 2598/4885ABCB11 414/4885
US-20120238761-A1 PROCESS FOR THE MANUFACTURE OF ORGANIC COMPOUNDS AGTR1, AGTR2, AGT AGTR1 1/4885LTB4R2 171/4885ABCB11 1072/4885
US-20060100443-A1 Novel process for preparation of valsartan ACE, REN, AGT AGTR1 11/4885LTB4R2 3702/4885ABCB11 326/4885

“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.