SCHEMBL2980033

SCHEMBL2980033

O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.39
CHUK O15111 12/20 0.39
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
MAP3K5 Q99683 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL2981793 0.95 KMT2A (0.38) IKBKBCHUKBRD4KMT2A
SCHEMBL2980032 0.93 MMP1 (0.34) IKBKBCHUKHPGDSMN1; SMN2MMP1
SCHEMBL2981796 0.90 MMP1 (0.32) MMP1MMP13
SCHEMBL2987895 0.90 IKBKB (0.45) IKBKBCHUKBRD4HPGDSMN1; SMN2
SCHEMBL3415805 0.85 IKBKB (0.54) IKBKBCHUKBRD4KMT2AHTR1A
SCHEMBL13266036 0.85 BRD4 (0.33) IKBKBCHUKBRD4
SCHEMBL2985378 0.83 IKBKB (0.56) IKBKBCHUKBRD4KMT2AHTR1A
SCHEMBL2987892 0.82 IKBKB (0.38) IKBKBCHUKHPGDSMN1; SMN2MMP1
SCHEMBL13266144 0.82 KDM4E (0.31) BRD4KMT2A
SCHEMBL3415345 0.81 IKBKB (0.49) IKBKBCHUKBRD4KMT2A

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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 IKBKB 11/4885CHUK 22/4885BRD4 817/4885

“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.