SCHEMBL10030646

SCHEMBL10030646

C[C@@H](Cl)OC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.59
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.52
GSR P00390 3/20 0.33
CA2 P00918 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL10030647 1.00 BCHE (0.59) BCHEALDH1A1MAPTGSRCA2
SCHEMBL31538809 0.84 BCHE (0.71) BCHEALDH1A1MAPTGSRCA2
SCHEMBL3489939 0.84 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSRCA2
SCHEMBL3494230 0.84 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSRCA2
SCHEMBL3491545 0.84 ALDH1A1 (0.75) BCHEALDH1A1MAPTGSRCA2
SCHEMBL1483452 0.83 BCHE (0.42) BCHEALDH1A1MAPTROCK2ROCK1
SCHEMBL1483446 0.83 BCHE (0.42) BCHEALDH1A1MAPTROCK2ROCK1
SCHEMBL1483457 0.83 BCHE (0.42) BCHEALDH1A1MAPTROCK2ROCK1
SCHEMBL7413928 0.79 ALDH1A1 (0.72) BCHEALDH1A1MAPTGSRCA2
SCHEMBL7417455 0.79 ALDH1A1 (0.72) BCHEALDH1A1MAPTGSRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-03-17 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 (2 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-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN BCHE 1913/4885ALDH1A1 2760/4885MAPT 3903/4885
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN BCHE 1906/4885ALDH1A1 3141/4885MAPT 4112/4885

“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.