SCHEMBL2994739

SCHEMBL2994739

O=S1(=O)CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.51
CHUK O15111 12/20 0.51
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
PLAU P00749 1/20 0.36

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
SCHEMBL26671802 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ERECQLSMN1; SMN2
SCHEMBL2994737 0.87 ALDH1A1 (0.49) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL2985529 0.84 ALDH1A1 (0.72) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL2991766 0.76 ALDH1A1 (0.65) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL14278882 0.72 KDM4E (0.56) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL13013467 0.72 ALDH1A1 (0.69) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL3415505 0.72 MAPK1 (0.69) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL19994965 0.71 KMT2A (0.51) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL2985526 0.71 ALDH1A1 (0.71) IKBKBCHUKALDH1A1KMT2AKDM4E
SCHEMBL17807630 0.70 ALDH1A1 (0.85) ALDH1A1KMT2AKDM4ERECQLSMN1; SMN2

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 22/4885ALDH1A1 3844/4885

“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.