SCHEMBL656174

SCHEMBL656174

CC(=O)OCOC(=O)C(C(=O)OCOC(C)=O)C(CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL658184 0.88 PDPK1 (0.49) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL658600 0.88 PDPK1 (0.48) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657876 0.87 CYP2C9 (0.56) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL658835 0.85 PDPK1 (0.52) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL659208 0.85 L3MBTL1 (0.59) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657267 0.79 L3MBTL1 (0.56) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657374 0.79 KMT2A (0.72) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL656175 0.76 KMT2A (0.47) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657803 0.75 PDPK1 (0.47) KMT2AL3MBTL1ALDH1A1PDPK1
SCHEMBL656131 0.74 PDPK1 (0.52) KMT2AL3MBTL1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB KMT2A 1777/4885L3MBTL1 3302/4885POLB 4008/4885

“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.