SCHEMBL2140271

SCHEMBL2140271

COc1cc(C(=O)c2ccc3sc(NC(=O)c4csc(C5CCN(c6ncnc7ccsc67)CC5)n4)nc3c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MAPK1 P28482 1/20 0.38
SCD O00767 2/20 0.37
PDE4B Q07343 2/20 0.37
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4D Q08499 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
KIT P10721 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL2134914 0.92 NFKB1 (0.57) NFKB1NFKB2RELAMAPK1SCD
SCHEMBL2135587 0.90 NFKB1 (0.61) NFKB1NFKB2RELASCDADRB2
SCHEMBL2139019 0.88 NFKB1 (0.59) NFKB1NFKB2RELAMAPK1ADRB2
SCHEMBL2136321 0.75 NFKB1 (0.89) NFKB1NFKB2RELASCDADRB2
SCHEMBL13908867 0.74 NFKB1 (0.81) NFKB1NFKB2RELAADRB2ADRB1
SCHEMBL14050744 0.74 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1MAPT
SCHEMBL2139370 0.73 NFKB1 (1.00) NFKB1NFKB2RELAMAPK1SCD
SCHEMBL30316128 0.73 NFKB1 (1.00) NFKB1NFKB2RELAMAPK1SCD
SCHEMBL2139575 0.72 NFKB1 (0.87) NFKB1NFKB2RELAMAPK1ADRB2
SCHEMBL5079264 0.72 NFKB1 (0.61) NFKB1NFKB2RELAADRB2ADRB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
EP-1977759-A1 Pharmaceutical composition comprising a cytokine 4SC AG (DE) 2008-10-08 EP disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (2 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-20110052532-A1 Pharmaceutical composition comprising a cytokine IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885

“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.