SCHEMBL4050436

SCHEMBL4050436

O=S(=O)(c1ccc(CCl)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 4/20 0.66
LMNA P02545 3/20 0.62
GAA P10253 2/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL12793245 0.86 POLB (0.88) POLBALDH1A1LMNAGAATSHR
SCHEMBL16061362 0.83 KMT2A (0.81) POLBALDH1A1LMNAGAATSHR
SCHEMBL7903516 0.83 POLB (0.67) POLBALDH1A1LMNAGAATSHR
SCHEMBL7904262 0.83 ALDH1A1 (0.70) POLBALDH1A1LMNAGAATSHR
SCHEMBL15231957 0.83 POLB (0.67) POLBALDH1A1LMNAGAATSHR
SCHEMBL400508 0.83 POLB (0.67) POLBALDH1A1LMNAGAATSHR
SCHEMBL8724926 0.83 POLB (0.67) POLBALDH1A1LMNAGAATSHR
SCHEMBL4188547 0.82 POLB (0.65) POLBALDH1A1LMNAGAATSHR
Hydrochloric Acid SCHEMBL2897609 0.82 POLB (0.65) POLBALDH1A1LMNAGAATSHR
SCHEMBL6594783 0.81 LMNA (0.64) POLBALDH1A1LMNAGAATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 POLB 372/4885ALDH1A1 2203/4885LMNA 751/4885

“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.