SCHEMBL656352

SCHEMBL656352

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 1.00
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 9/20 0.41
KCNH2 Q12809 6/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
PTPN1 P18031 1/20 0.39
TSHR P16473 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
SCHEMBL657675 0.89 PDPK1 (0.81) PDPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL656820 0.86 PDPK1 (1.00) PDPK1GAATSHR
SCHEMBL659187 0.85 PDPK1 (0.74) PDPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL657246 0.84 PDPK1 (0.71) PDPK1MGAMGAASIMGAM2
SCHEMBL657975 0.82 PDPK1 (0.69) PDPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL657492 0.80 PDPK1 (0.76) PDPK1CYP2D6
SCHEMBL2141566 0.75 PDPK1 (0.78) PDPK1CYP3A4MGAMGAASI
SCHEMBL13385679 0.75 PDPK1 (0.60) PDPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL657993 0.74 PDPK1 (0.65) PDPK1CYP2D6MGAMGAASI
SCHEMBL657387 0.73 PDPK1 (0.58) PDPK1SLC6A2SLC6A4SLC6A3KCNH2

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 12 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
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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US 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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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
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 109/4885SLC6A2 4755/4885SLC6A4 4736/4885

“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.