SCHEMBL21190860

SCHEMBL21190860

CC1(C)OB(c2cc(S(C)(=O)=O)cnc2OC2CCOCC2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
LRRK2 Q5S007 2/20 0.43
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
ATXN2 Q99700 1/20 0.35
PTGS2 P35354 2/20 0.34
FFAR2 O15552 1/20 0.34
GCK P35557 1/20 0.34
PTGS1 P23219 1/20 0.33
PIK3CA P42336 2/20 0.33

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
SCHEMBL21190927 0.90 PTGS2 (0.42) BRD4LRRK2GPR119PTGS2FFAR2
SCHEMBL21190908 0.88 BRD4 (0.49) BRD4LRRK2RAF1BRAFATXN2
SCHEMBL21191119 0.84 BRD4 (0.49) BRD4LRRK2RAF1BRAFTBK1
SCHEMBL21191042 0.84 BRD4 (0.51) BRD4LRRK2RAF1BRAFATXN2
SCHEMBL21190880 0.80 TBK1 (0.41) BRD4LRRK2TBK1GPR119PTGS2
SCHEMBL21191044 0.80 PTGS2 (0.42) BRD4PTGS2PTGS1
SCHEMBL18224565 0.80 ALPL (0.40) LRRK2PTGS2PTGS1
SCHEMBL21190890 0.78 BRD4 (0.40) BRD4PTGS2FFAR2PTGS1
SCHEMBL31441478 0.74 LRRK2 (0.43) LRRK2
SCHEMBL21191029 0.74 BRD4 (0.47) BRD4PTGS2PTGS1PIK3CA

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
EP-3741758-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-11-25 EP disclosed
US-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 BRD4 1/4885LRRK2 402/4885RAF1 634/4885

“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.