SCHEMBL21190880

SCHEMBL21190880

CC1(C)OB(c2cc(S(C)(=O)=O)ccc2OC2CCOCC2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.41
SLC6A9 P48067 1/20 0.40
BRD4 O60885 2/20 0.39
PTGS2 P35354 2/20 0.38
LRRK2 Q5S007 1/20 0.38
SYK P43405 1/20 0.38
RORC P51449 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4D Q08499 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GCK P35557 1/20 0.35

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
SCHEMBL20443248 0.89 PTGS2 (0.46) SLC6A9BRD4PTGS2PTGS1GPR119
SCHEMBL21190916 0.86 GPR119 (0.39) BRD4PTGS2PTGS1GPR119
SCHEMBL21190867 0.83 BRD4 (0.47) TBK1BRD4SYKRORCPDE4D
SCHEMBL21190869 0.83 BRD4 (0.47) TBK1BRD4PTGS2SYKPTGS1
SCHEMBL21191141 0.80 BRD4 (0.39) TBK1BRD4SYKRORCPDE4D
SCHEMBL21190860 0.80 BRD4 (0.46) TBK1BRD4PTGS2LRRK2PTGS1
SCHEMBL30526648 0.79 SMN1; SMN2 (0.51) PTGS2PTGS1
SCHEMBL15535998 0.79 SMN1; SMN2 (0.51) PTGS2PTGS1
SCHEMBL16651855 0.78 BRD4 (0.47) SLC6A9BRD4PTGS2PTGS1
SCHEMBL22647747 0.77 BRD4 (0.49) BRD4PDE4DPDE4APDE4BPDE4C

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 4 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
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 TBK1 581/4885SLC6A9 4499/4885BRD4 1/4885

“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.