SCHEMBL1243790

SCHEMBL1243790

CC(C)(C)OC(=O)CNCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NR1H4 Q96RI1 3/20 0.49
EPHX2 P34913 2/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
MMP8 P22894 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL16355776 0.88 LMNA (0.50) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL5190209 0.87 LMNA (0.59) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL734928 0.86 ATM (0.55) ALDH1A1KMT2ASMN1; SMN2KDM4EATM
SCHEMBL27412143 0.85 ALDH1A1 (0.41) ALDH1A1NR1H4EPHX2KMT2AMAPT
SCHEMBL557679 0.85 ALDH1A1 (0.49) ALDH1A1NR1H4EPHX2KMT2ASMN1; SMN2
SCHEMBL13662612 0.84 ATM (0.44) KMT2ASMN1; SMN2LMNAHPGDMAPT
SCHEMBL8421187 0.84 VSIR (0.44) LMNAHPGDMAPTATM
SCHEMBL14205020 0.84 KMT2A (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL15876277 0.84 MTNR1A (0.42) SMN1; SMN2LMNAHPGDMAPTATM
Hydrochloric Acid SCHEMBL6433307 0.84 ATM (0.53) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT

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
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 WO disclosed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP disclosed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 US disclosed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 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 (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-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 ALDH1A1 149/4885NR1H4 350/4885EPHX2 45/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK ALDH1A1 2113/4885NR1H4 2961/4885EPHX2 2805/4885

“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.