SCHEMBL2997310

SCHEMBL2997310

O=C(O)NCCNS(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 4/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 2/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.43
NAMPT P43490 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2992010 0.81 GAA (0.64) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL13241060 0.81 GAA (0.51) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL21051622 0.76 USP2 (0.68) KMT2AALDH1A1PKMKDM4ELMNA
SCHEMBL579287 0.76 GAA (0.61) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL3412674 0.75 MMP1 (0.58) GAAMEN1KMT2AALDH1A1USP2
SCHEMBL4061712 0.75 TSHR (0.68) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL6701189 0.74 MEN1 (0.62) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL8230173 0.74 GAA (0.58) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL3603937 0.73 MMP2 (0.51) GAAALDH1A1KDM4ELMNAUSP2
SCHEMBL3639060 0.72 KDM4E (0.51) GAAMEN1KMT2AALDH1A1PKM

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 GAA 2061/4885MEN1 3704/4885KMT2A 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.