SCHEMBL2353735

SCHEMBL2353735

COC(=O)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
CYP1A2 P05177 3/20 0.50
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL8383697 0.94 ALDH1A1 (0.67) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL18288241 0.86 ALDH1A1 (0.60) ALDH1A1CYP1A2TSHRMAPTTDP1
SCHEMBL12788041 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL29923915 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL15540195 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL30444123 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL20537468 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL29418871 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL8909475 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL15539874 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors BUCKMAN BRAD (US) 2011-12-29 US disclosed
US-8008325-B2 Plasma carboxypeptidase B inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-30 US disclosed
EP-2204373-A1 Phosphonic acid as Plasma Carboxypeptidase B Inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-07 EP disclosed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 US disclosed
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS BUCKMAN BRAD 2009-04-09 US disclosed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed
US-6043065-A Photosensitive organic compounds that release 2,5,-di(tert-butyl)hydroquinone upon illumination UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2000-03-28 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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 ALDH1A1 1372/4885CYP1A2 774/4885TSHR 2137/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 ALDH1A1 1372/4885CYP1A2 774/4885TSHR 2137/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 ALDH1A1 1207/4885CYP1A2 786/4885TSHR 2586/4885

“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.