SCHEMBL2950

SCHEMBL2950

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.61
LTB4R2 Q9NPC1 9/20 0.59
ABCB11 O95342 1/20 0.59
GP6 Q9HCN6 1/20 0.59

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
SCHEMBL14193717 1.00 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2691 1.00 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL683543 0.93 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
Acetic Acid SCHEMBL28371506 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL5949171 0.92 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL5949176 0.92 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL3473866 0.92 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
SCHEMBL3473870 0.92 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
SCHEMBL29669823 0.91 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2252 0.91 AGTR1 (0.73) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
US-20140316142-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF ALKEM LABORATORIES LTD. (IN) 2014-10-23 US disclosed
US-20140316142-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF ALKEM LABORATORIES LTD. (IN) 2014-10-23 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
US-7880015-B2 treating N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-L-valine methyl ester with oxalic acid to produce N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-L-valine methyl ester oxalate, treating intermediate with a base and vlaeryl chloride , deprotecting; Valsartan product AUROBINDO PHARMA LTD. (IN) 2011-02-01 US disclosed
US-7880015-B2 treating N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-L-valine methyl ester with oxalic acid to produce N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-L-valine methyl ester oxalate, treating intermediate with a base and vlaeryl chloride , deprotecting; Valsartan product AUROBINDO PHARMA LTD. (IN) 2011-02-01 US disclosed
US-20090281326-A1 Process For the Preparation of Angiotensin II Antagonist AUROBINDO PHARMA LTD (IN) 2009-11-12 US disclosed
US-20090281326-A1 Process For the Preparation of Angiotensin II Antagonist AUROBINDO PHARMA LTD (IN) 2009-11-12 US disclosed
EP-2090567-A2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES, LTD. (IN) 2009-08-19 EP disclosed
US-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2009-08-13 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
WO-2005049587-A1 PROCESS FOR PREPARATION OF BIPHENYL TETRAZOLE RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
WO-2005049588-A1 PROCESS FOR ISOLATION OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO 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-20090281326-A1 Process For the Preparation of Angiotensin II Antagonist REN, VCL, PTMS AGTR1 7/4885LTB4R2 1367/4885ABCB11 493/4885
US-20060281801-A1 Process for the preparation of valsartan and its intermediates ACE, REN, AGT AGTR1 16/4885LTB4R2 2327/4885ABCB11 1196/4885
US-20140316142-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF AGTR1, AGTR2, AVPR2 AGTR1 1/4885LTB4R2 747/4885ABCB11 3420/4885
US-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN REN, AGT, ACE AGTR1 8/4885LTB4R2 1107/4885ABCB11 752/4885

“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.