SCHEMBL8065614

SCHEMBL8065614

COC(=O)C(NCc1ccc(-c2ccccc2C#N)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
MME P08473 1/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
ESR2 Q92731 1/20 0.43
ANPEP P15144 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAM17 P78536 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
OXTR P30559 1/20 0.39

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
SCHEMBL2432 1.00 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2174 1.00 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL15663201 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL3526296 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Oxalic Acid SCHEMBL1616541 0.97 MME (0.44) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2465 0.90 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL3121 0.90 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL8910310 0.89 ABL1 (0.42) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL14004740 0.89 FFAR1 (0.48) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2317 0.89 FFAR1 (0.48) MYCWDR5MMEFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013072924-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF. ALKEM LABORATORIES LTD. (IN) 2013-05-23 WO disclosed
WO-2012056294-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-PENTANOYL-N-[[2'-(1H-TETRAZOL-5-YI)[1,1'-BIPHENYL]-4-YI]METHYL]-L-VALINE JUBILANT LIFE SCIENCES LTD. (IN) 2012-05-03 WO 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
CN-101638393-A Preparation method of 1-type receptor antagonist of novel hypertension II and application for lowering blood pressure, resisting tumors, and like ZHILONG CHEN 2010-02-03 CN 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
US-7199144-B2 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2007-04-03 US disclosed
US-20050059827-A1 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES LTD. (IL) 2005-03-17 US 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 (3 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 MYC 3156/4885WDR5 1803/4885MME 32/4885
US-20050059827-A1 Process for the preparation of valsartan and intermediates thereof REN, AGT, ACE MYC 4299/4885WDR5 3433/4885MME 18/4885
US-20140316142-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF AGTR1, AGTR2, AVPR2 MYC 3876/4885WDR5 2029/4885MME 336/4885

“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.