SCHEMBL2991766

SCHEMBL2991766

O=S1(=O)CCC(NS(=O)(=O)c2ccc(Cl)nc2)C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.49
IKBKB O14920 5/20 0.45
CHUK O15111 5/20 0.45
HSD17B10 Q99714 1/20 0.45
TDO2 P48775 1/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2985529 0.92 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EIKBKBCHUK
SCHEMBL2991769 0.86 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EMAPK1IKBKB
SCHEMBL17807630 0.83 ALDH1A1 (0.85) ALDH1A1KMT2AKDM4EMAPK1MEN1
SCHEMBL2985526 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4EMAPK1IKBKB
SCHEMBL8512198 0.80 ALDH1A1 (0.91) ALDH1A1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL2565054 0.80 ALDH1A1 (0.97) ALDH1A1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL2982170 0.77 ALDH1A1 (0.74) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL3411208 0.76 KMT2A (0.63) ALDH1A1KMT2AKDM4EMAPK1IKBKB
SCHEMBL3418171 0.76 KMT2A (0.63) ALDH1A1KMT2AKDM4EMAPK1IKBKB
SCHEMBL3417814 0.76 KMT2A (0.63) ALDH1A1KMT2AKDM4EMAPK1IKBKB

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 ALDH1A1 3844/4885KMT2A 1503/4885KDM4E 1730/4885

“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.