SCHEMBL21362087

SCHEMBL21362087

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.32
MAPK14 Q16539 2/20 0.31
ATM Q13315 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL21362174 0.92 BRD4 (0.33) BRD4MAPK14
SCHEMBL21362055 0.86 BRD4 (0.37) BRD4
SCHEMBL21352054 0.86 ENPP1 (0.32) BRD4
SCHEMBL20157713 0.85 BRD4 (0.33) BRD4
SCHEMBL21352053 0.85 BRD4 (0.31) BRD4
SCHEMBL21362256 0.85 BRD4 (0.38) BRD4
SCHEMBL21352162 0.84 BRD4 (0.32) BRD4MAPK14ATMDPP4DPP7
Sulfamide SCHEMBL21354515 0.84 LMNA (0.35) BRD4
Sulfamide SCHEMBL21351951 0.84 LMNA (0.35) BRD4
SCHEMBL21362189 0.83 BRD4 (0.42) BRD4MAPK14

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 7/4885MAPK14 418/4885ATM 1628/4885

“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.