SCHEMBL16375314

SCHEMBL16375314

Cc1ccc(S(=O)(=O)OCc2ccc([N+](=O)[O-])n2CC(=O)NCC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.42
▸ ERBB2 P04626 5/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ STAT3 P40763 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32

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
SCHEMBL16375315 0.92 EGFR (0.41) EGFRERBB2KDM4ESTAT3KMT2A
SCHEMBL16375308 0.85 EGFR (0.51) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL15607901 0.81 EGFR (0.35) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL16375313 0.80 EGFR (0.34) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL15607955 0.79 KMT2A (0.35) EGFRERBB2STAT3KMT2AMEN1
SCHEMBL15607824 0.79 MEN1 (0.37) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL16375307 0.78 EGFR (0.49) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL15607944 0.77 MAPT (0.38) EGFRERBB2KDM4ESTAT3KMT2A
SCHEMBL16375030 0.77 PKM (0.41) EGFRERBB2KDM4EKMT2AMEN1
SCHEMBL16375036 0.77 F2 (0.39) EGFRERBB2KDM4ESTAT3KMT2A

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB EGFR 1866/4885ERBB2 1218/4885KDM4E 1607/4885

“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.

Send feedback