SCHEMBL19968005

SCHEMBL19968005

O=S(=O)(Oc1ccc2ccc(Oc3cc(O)cc4cc(O)ccc34)cc2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MEN1 O00255 9/20 0.44
ESR1 P03372 6/20 0.43
ESR2 Q92731 5/20 0.43
ATM Q13315 1/20 0.43
HSD11B1 P28845 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
STK39 Q9UEW8 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33

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
SCHEMBL1897441 0.85 KMT2A (0.56) KMT2AMEN1ESR1ESR2ATM
SCHEMBL13953557 0.83 KMT2A (0.52) KMT2AMEN1ESR1ESR2ATM
SCHEMBL15205101 0.83 MEN1 (0.51) KMT2AMEN1ESR1ESR2ATM
SCHEMBL12673294 0.78 KMT2A (0.48) KMT2AMEN1ESR1ESR2ATM
SCHEMBL12673293 0.78 KMT2A (0.48) KMT2AMEN1ESR1ESR2ATM
SCHEMBL598333 0.77 CA1 (0.50) KMT2AMEN1ESR1ESR2ATM
SCHEMBL13933202 0.73 CA1 (0.49) KMT2AMEN1ESR1ESR2ATM
SCHEMBL4056753 0.73 CA1 (0.51) HSD11B1HTTCA1CA2HTR1A
SCHEMBL2222073 0.71 KMT2A (0.50) KMT2AMEN1ESR1ESR2ATM
SCHEMBL2656359 0.71 NQO2 (0.43) KMT2AMEN1ESR2HSD11B1MAPT

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-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 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-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 KMT2A 4218/4885MEN1 3421/4885ESR1 1248/4885

“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.