SCHEMBL2831925

SCHEMBL2831925

CC(C)C(NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
AGT P01019 2/20 0.38
CD274 Q9NZQ7 7/20 0.36
ADAMTS4 O75173 2/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDCD1 Q15116 3/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34

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
SCHEMBL2831924 1.00 AGTR1 (0.46) AGTR1AGTR2AGTCD274ADAMTS4
Hydrochloric Acid SCHEMBL2829155 0.99 AGTR1 (0.45) AGTR1AGTR2AGTCD274ADAMTS4
Hydrochloric Acid SCHEMBL2829151 0.99 AGTR1 (0.45) AGTR1AGTR2AGTCD274ADAMTS4
SCHEMBL8233626 0.92 AGTR1 (0.44) AGTR1AGTR2AGTCD274HCRTR2
SCHEMBL5181662 0.92 AGTR1 (0.40) AGTR1AGTR2AGTCD274ADAMTS4
SCHEMBL29669891 0.92 AGTR1 (0.44) AGTR1AGTR2AGTCD274HCRTR2
SCHEMBL1261649 0.92 AGTR1 (0.44) AGTR1AGTR2AGTCD274HCRTR2
SCHEMBL5181666 0.92 AGTR1 (0.40) AGTR1AGTR2AGTCD274ADAMTS4
Hydrochloric Acid SCHEMBL5181038 0.91 AGTR1 (0.40) AGTR1AGTR2AGTCD274ADAMTS4
Hydrochloric Acid SCHEMBL5181031 0.91 AGTR1 (0.40) AGTR1AGTR2AGTCD274ADAMTS4

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 3 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
EP-1831186-B1 A PROCESS FOR THE SYNTHESIS OF VALSARTAN KRKA D D NOVO MESTO (SI) 2010-07-28 EP disclosed
EP-1661891-A1 A process for the synthesis of valsartan KRKA, D.D., Novo Mesto (SI) 2006-05-31 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 (1 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-20140316142-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS AND INTERMEDIATES THEREOF AGTR1, AGTR2, AVPR2 AGTR1 1/4885AGTR2 2/4885AGT 5/4885

“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.