SCHEMBL4177259

SCHEMBL4177259

CN(C)S(=O)(=O)NCCNC=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ADH1B P00325 4/20 0.41
ADH1A P07327 4/20 0.41
ADH7 P40394 3/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ADH1C P00326 3/20 0.38
EPHX1 P07099 1/20 0.37
ADH4 P08319 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.30
NPY5R Q15761 1/20 0.30
NR1D1 P20393 1/20 0.30

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
SCHEMBL3307433 0.75 ADH1B (0.46) ALDH1A1ADH1BADH1AADH7ADH1C
SCHEMBL13715429 0.75 ALDH1A1 (0.60) ALDH1A1LMNAHTTCA1CA2
SCHEMBL9453310 0.73 ALDH1A1 (0.58) ALDH1A1LMNAHTTCA1CA2
SCHEMBL21118113 0.72 ALDH1A1 (0.62) ALDH1A1LMNAHTTCA1CA2
SCHEMBL7355629 0.70 ALDH1A1 (0.67) ALDH1A1LMNAHTTCA1CA2
SCHEMBL5114807 0.70 ALDH1A1 (0.60) ALDH1A1LMNAHTTCA1CA2
SCHEMBL4614428 0.70 ALDH1A1 (0.67) ALDH1A1LMNAHTTCA1CA2
SCHEMBL4614425 0.70 ALDH1A1 (0.60) ALDH1A1LMNAHTTCA1CA2
SCHEMBL11033708 0.70 ALDH1A1 (1.00) ALDH1A1LMNAHTTCA1CA2
SCHEMBL3759352 0.70 ALDH1A1 (0.60) ALDH1A1LMNAHTTCA1CA2

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 ALDH1A1 163/4885ADH1B 3772/4885ADH1A 1808/4885

“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.