SCHEMBL17830802

SCHEMBL17830802

C=c1s/c(=C2\C(=O)N(CC(=O)OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc32)c(=O)n1CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
HSPH1 Q92598 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.32
PPARG P37231 5/20 0.32
CHRM5 P08912 2/20 0.32
HSP90AA1 P07900 1/20 0.31
KMO O15229 1/20 0.31
PPARA Q07869 3/20 0.31
CCKBR P32239 1/20 0.31
P2RX3 P56373 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17830799 0.93 ALDH1A1 (0.35) MDM2KMOCCKBRP2RX3KDM4E
SCHEMBL17830798 0.92 MEN1 (0.37) MDM2CCKBRP2RX3KDM4EALDH1A1
SCHEMBL17830794 0.91 CCKBR (0.38) KMOCCKBRKDM4EALDH1A1TSHR
SCHEMBL17830797 0.90 ALDH1A1 (0.37) P2RX3FFAR4KDM4EALDH1A1
SCHEMBL17830801 0.85 HSP90AA1 (0.37) GPBAR1HSP90AA1CCKBRP2RX3FFAR4
SCHEMBL17830803 0.83 PTPN7 (0.35) MDM2KMOP2RX3KDM4EALDH1A1
SCHEMBL17830793 0.83 PARK7 (0.37) KMOALDH1A1TSHR
SCHEMBL17830796 0.81 ALDH1A1 (0.37) KMOALDH1A1TSHR
SCHEMBL17830795 0.81 ALDH1A1 (0.38) CCKBRKDM4EALDH1A1TSHR
SCHEMBL17830697 0.80 APEX1 (0.51) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A MDM2 2131/4885EGLN2 1933/4885EGLN1 1245/4885

“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.