SCHEMBL2987803

SCHEMBL2987803

O=S(=O)(NC1CCS(O)(O)CC1)c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34
NAAA Q02083 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL2987805 0.88 IKBKB (0.52) IKBKBCHUKMAPK1HTTUCHL1
SCHEMBL3415502 0.79 MAPK1 (0.67) MAPK1HTTMAPTALDH1A1KDM4E
SCHEMBL2986426 0.74 L3MBTL1 (0.36) IKBKBCHUKMAPTALDH1A1KDM4E
SCHEMBL2977630 0.72 KDM4E (0.52) MAPK1HTTUSP30MAPTALDH1A1
SCHEMBL2986191 0.71 IKBKB (0.86) IKBKBCHUK
SCHEMBL3411214 0.70 MAPK1 (0.59) MAPK1HTTMAPTALDH1A1KDM4E
SCHEMBL3418174 0.70 MAPK1 (0.59) MAPK1HTTMAPTALDH1A1KDM4E
SCHEMBL2994737 0.70 ALDH1A1 (0.49) IKBKBCHUKALDH1A1KDM4EHSD17B10
SCHEMBL3417817 0.70 MAPK1 (0.59) MAPK1HTTMAPTALDH1A1KDM4E
SCHEMBL2985526 0.70 ALDH1A1 (0.71) IKBKBCHUKMAPK1ALDH1A1KDM4E

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 1 patent. 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

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 22/4885MAPK1 122/4885

“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.