SCHEMBL657976

SCHEMBL657976

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.49
GLA P06280 1/20 0.42
MGAM O43451 4/20 0.35
GAA P10253 4/20 0.35
SI P14410 4/20 0.35
MGAM2 Q2M2H8 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
UTS2R Q9UKP6 1/20 0.30

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
SCHEMBL659012 0.88 GLA (0.41) PDPK1GLAMGAMGAASI
SCHEMBL658185 0.85 L3MBTL1 (0.39) PDPK1L3MBTL1CYP2C9KMT2A
SCHEMBL657804 0.82 SRD5A2 (0.38) L3MBTL1SMN1; SMN2KMT2A
SCHEMBL656363 0.81 ALDH1A1 (0.45) GLAMGAMGAASIMGAM2
SCHEMBL658601 0.80 PDPK1 (0.41) PDPK1L3MBTL1HPGDCYP2C9KMT2A
SCHEMBL657352 0.78 PDPK1 (0.47) PDPK1SMN1; SMN2CYP2C9KMT2A
SCHEMBL657975 0.77 PDPK1 (0.69) PDPK1GLAMGAMGAASI
SCHEMBL656175 0.76 KMT2A (0.47) PDPK1L3MBTL1HPGDCYP2C9HSD17B10
SCHEMBL10252971 0.75 PDPK1 (0.52) PDPK1GLAMGAMGAASI
SCHEMBL657877 0.75 CYP2C9 (0.50) PDPK1GAAL3MBTL1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2734/4885MGAM 2884/4885

“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.