SCHEMBL3213081

SCHEMBL3213081

O=C(NC(CCc1ccccc1)C(=O)O)c1ccc(Cl)c(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL3222001 0.90 GPR132 (0.55) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3215218 0.88 PDK1 (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3199823 0.85 PDK1 (0.53) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3222613 0.77 GRN (0.51) GPR132PDK1PDK2PDK3PDK4
SCHEMBL775117 0.77 CA2 (0.64) CA1CA2GRNSORT1
SCHEMBL18653875 0.76 LNPEP (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL15989069 0.76 LNPEP (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3218617 0.75 PDK1 (0.42) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3215269 0.74 PDK1 (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL775213 0.73 GRN (0.59) GPR132PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B GPR132 3576/4885PDK1 1103/4885PDK2 1177/4885

“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.