SCHEMBL659187

SCHEMBL659187

COC(=O)C(C(=O)OC)C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.74
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SLC6A3 Q01959 6/20 0.40
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
KCNH2 Q12809 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP3A4 P08684 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL657975 0.87 PDPK1 (0.69) PDPK1L3MBTL1SLC6A3CYP2D6SLC6A2
SCHEMBL658330 0.86 PDPK1 (0.72) PDPK1KMT2AL3MBTL1
SCHEMBL656352 0.85 PDPK1 (1.00) PDPK1SLC6A3CYP2D6SLC6A2SLC6A4
SCHEMBL657387 0.80 PDPK1 (0.58) PDPK1KMT2ASLC6A3CYP2D6SLC6A2
SCHEMBL7109702 0.77 KMT2A (0.66) PDPK1KMT2AL3MBTL1ALDH1A1CYP3A4
SCHEMBL10448370 0.77 KMT2A (0.66) PDPK1KMT2AL3MBTL1ALDH1A1CYP3A4
SCHEMBL7108403 0.76 L3MBTL1 (0.68) KMT2AL3MBTL1ALDH1A1MGAMGAA
SCHEMBL7111978 0.75 KMT2A (0.59) PDPK1KMT2AL3MBTL1ALDH1A1MGAM
SCHEMBL657675 0.75 PDPK1 (0.81) PDPK1SLC6A3CYP2D6SLC6A2SLC6A4
SCHEMBL656638 0.73 PDPK1 (0.53) PDPK1KMT2ASLC6A3CYP2D6SLC6A2

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-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 PDPK1 109/4885KMT2A 1777/4885L3MBTL1 3302/4885

“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.