SCHEMBL4395544

SCHEMBL4395544

O=C(O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccno3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 10/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 6/20 0.41
F10 P00742 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL4390076 0.77 MAPT (0.67) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL4390080 0.77 MAPT (0.67) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL14055607 0.73 POLB (0.43) ALDH1A1GAAKDM4E
SCHEMBL15882624 0.73 MAPT (0.41) MAPTTP53
SCHEMBL10154049 0.70 MAPT (0.44) MAPTTP53
SCHEMBL2634053 0.69 CA1 (0.37) MAPTTP53
SCHEMBL14822900 0.68 HPGD (0.39) MAPTTP53
SCHEMBL13590689 0.66 KDM4E (0.75) ALDH1A1GAAMAPTKDM4E
SCHEMBL13409940 0.66 HPGD (0.35) MAPTTP53
SCHEMBL14075554 0.66 CA1 (0.54)

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
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 ALDH1A1 169/4885GAA 288/4885MAPT 2312/4885

“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.