SCHEMBL21362041

SCHEMBL21362041

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2)c(-c2cn(C)c(=O)cc2[C@@H](N[S@@+]([O-])C(C)(C)C)C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.35
MAPK14 Q16539 1/20 0.31
THRB P10828 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
SCHEMBL21351835 0.93 BRD4 (0.36) BRD4MAPK14THRB
SCHEMBL21354474 0.93 BRD4 (0.36) BRD4MAPK14THRB
SCHEMBL21351838 0.93 BRD4 (0.36) BRD4MAPK14THRB
SCHEMBL21362108 0.93 BRD4 (0.36) BRD4MAPK14THRB
SCHEMBL21362125 0.90 BRD4 (0.36) BRD4THRB
SCHEMBL21362139 0.90 BRD4 (0.35) BRD4THRB
SCHEMBL21362234 0.88 BRD4 (0.34) BRD4
SCHEMBL21362043 0.88 BRD4 (0.34) BRD4
SCHEMBL21362137 0.88 BRD4 (0.34) BRD4
SCHEMBL20158131 0.86 BRD4 (0.41) 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 418/4885THRB 2103/4885

“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.