SCHEMBL657975

SCHEMBL657975

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.69
GLA P06280 1/20 0.45
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 7/20 0.35
CYP2D6 P10635 5/20 0.35
KCNH2 Q12809 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL659187 0.87 PDPK1 (0.74) PDPK1MGAMGAASIMGAM2
SCHEMBL657948 0.85 PDPK1 (0.50) PDPK1GLAKDM4EHPGDSMN1; SMN2
SCHEMBL658184 0.83 PDPK1 (0.49) PDPK1CYP2D6L3MBTL1
SCHEMBL656352 0.82 PDPK1 (1.00) PDPK1MGAMGAASIMGAM2
SCHEMBL10252971 0.81 PDPK1 (0.52) PDPK1GLAKDM4EHPGDSMN1; SMN2
SCHEMBL657387 0.78 PDPK1 (0.58) PDPK1KDM4EHPGDSMN1; SMN2MGAM
SCHEMBL657803 0.78 PDPK1 (0.47) PDPK1SMN1; SMN2L3MBTL1
SCHEMBL656362 0.77 ALDH1A1 (0.48) PDPK1KDM4EHPGDMGAMGAA
SCHEMBL657976 0.77 PDPK1 (0.49) PDPK1GLAKDM4EHPGDSMN1; SMN2
SCHEMBL658600 0.76 PDPK1 (0.48) PDPK1HPGDL3MBTL1

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 4 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

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 109/4885GLA 2734/4885KDM4E 1893/4885

“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.