SCHEMBL2991769

SCHEMBL2991769

O=S(=O)(NC1CCS(O)(O)C1)c1ccc(Cl)nc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
EGFR P00533 1/20 0.38
PLAU P00749 1/20 0.37

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
SCHEMBL2985526 0.92 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL2991766 0.86 ALDH1A1 (0.65) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL2985529 0.83 ALDH1A1 (0.72) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL17807630 0.82 ALDH1A1 (0.85) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL8512198 0.79 ALDH1A1 (0.91) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL2565054 0.79 ALDH1A1 (0.97) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL2994737 0.77 ALDH1A1 (0.49) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL3417817 0.77 MAPK1 (0.59) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL3411214 0.77 MAPK1 (0.59) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL3418174 0.77 MAPK1 (0.59) ALDH1A1GAAKMT2AMEN1KDM4E

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 ALDH1A1 3844/4885GAA 2061/4885KMT2A 1503/4885

“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.