SCHEMBL20158039

SCHEMBL20158039

CCS(=O)(=O)Cc1ccc(C(=O)c2cc(OC)c(F)cc2Cl)c(-c2cn(C)c(=O)cc2CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.34
EPAS1 Q99814 1/20 0.31
PTGES O14684 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
SUV39H2 Q9H5I1 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
SCHEMBL21362637 0.92 BRD4 (0.33) BRD4HDAC10HDAC6SUV39H2
SCHEMBL20157852 0.90 BRD4 (0.36) BRD4EPAS1HDAC10HDAC6
SCHEMBL21362110 0.89 BRD4 (0.34) BRD4HDAC10HDAC6
SCHEMBL20157909 0.88 BRD4 (0.34) BRD4EPAS1HDAC10HDAC6
SCHEMBL21550252 0.88 ALDH1A1 (0.34) BRD4HDAC10HDAC6
SCHEMBL21550125 0.88 ALDH1A1 (0.36) BRD4HDAC10HDAC6
SCHEMBL21564924 0.87 HDAC10 (0.36) BRD4HDAC10HDAC6
SCHEMBL21362077 0.86 BRD4 (0.40) BRD4
SCHEMBL20157907 0.86 MAP2K2 (0.37) BRD4HDAC10HDAC6
SCHEMBL21351941 0.86 BRD4 (0.34) BRD4

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 3 patents. 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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO 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 7/4885EPAS1 1714/4885PTGES 3363/4885

“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.