SCHEMBL21362055

SCHEMBL21362055

C[C@H](N[S@@+]([O-])C(C)(C)C)c1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)c(F)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 2/20 0.32
TRPV1 Q8NER1 2/20 0.31
PTGS2 P35354 1/20 0.31
WDR5 P61964 1/20 0.31
BDKRB1 P46663 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABCB1 P08183 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
SCHEMBL21362256 0.92 BRD4 (0.38) BRD4
SCHEMBL21362159 0.86 BRD4 (0.37) BRD4KMT2ALMNATP53MAPT
SCHEMBL21362224 0.86 BRD4 (0.35) BRD4KMT2ALMNATP53MAPT
SCHEMBL21362087 0.86 BRD4 (0.32) BRD4
SCHEMBL20157713 0.85 BRD4 (0.33) BRD4
SCHEMBL21362079 0.85 BRD4 (0.37) BRD4KMT2ALMNATP53MAPT
SCHEMBL20157669 0.85 BRD4 (0.37) BRD4
SCHEMBL21352054 0.84 ENPP1 (0.32) BRD4TRPV1
SCHEMBL21352053 0.83 BRD4 (0.31) BRD4
SCHEMBL21362189 0.82 BRD4 (0.42) BRD4CNR2

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 BRD4 7/4885KMT2A 1082/4885LMNA 2333/4885

“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.