SCHEMBL871585

SCHEMBL871585

NC(=NO)c1ccccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
AKR1B1 P15121 2/20 0.50
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB11 O95342 1/20 0.41
PTGS1 P23219 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CTBP2 P56545 2/20 0.40
CXCL8 P10145 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.39
HIF1A Q16665 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
SCHEMBL19153981 1.00 BCAT2 (0.51) BCAT2AKR1B1TDP1LMNAGAA
Water SCHEMBL871348 0.98 BCAT2 (0.50) BCAT2AKR1B1TDP1LMNAGAA
SCHEMBL18716529 0.81 BCAT2 (0.58) BCAT2AKR1B1TDP1LMNAL3MBTL1
SCHEMBL13770580 0.80 GAA (0.43) BCAT2LMNAGAAL3MBTL1CTBP2
SCHEMBL103625 0.79 GAA (0.46) LMNAGAAL3MBTL1CTBP2MAPT
SCHEMBL103624 0.79 GAA (0.46) LMNAGAAL3MBTL1CTBP2MAPT
SCHEMBL19153141 0.79 TDP1 (0.46) BCAT2AKR1B1TDP1LMNAGAA
SCHEMBL27598452 0.78 BCAT2 (0.54) BCAT2AKR1B1TDP1LMNAABCB11
SCHEMBL7459186 0.77 GAA (0.47) LMNAGAAL3MBTL1CYP2C19CYP2C9
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.77 AKR1B1 (0.61) BCAT2AKR1B1TDP1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
CN-102378628-A Method for improved bioactivation of medications UNIV KIEL CHRISTIAN ALBRECHTS 2012-03-14 CN disclosed
EP-2376074-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010078867-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-07-15 WO 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 BCAT2 2525/4885AKR1B1 63/4885TDP1 1478/4885

“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.