SCHEMBL1406166

SCHEMBL1406166

COc1ccc(CCS(=O)(=O)CCc2ccc(OC)c(N)c2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP19A1 P11511 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL11574200 0.89 GAA (0.56) GAACA1CA2CA12CA5A
SCHEMBL15623705 0.84 GAA (0.50) GAACA2ALDH1A1HTTLMNA
SCHEMBL31090146 0.84 GAA (0.77) GAACA2CYP19A1KDM4EATM
SCHEMBL29634424 0.83 GAA (0.65) GAACA1CA2CA12CA5A
SCHEMBL8777729 0.81 GAA (0.54) GAACA1CA2CA12CA5A
SCHEMBL8867396 0.81 GAA (0.67) GAACA1CA2CA12CA5A
Sulfuric Acid SCHEMBL687450 0.81 GAA (0.57) GAACA1CA2CA12CA5A
SCHEMBL2207203 0.79 GAA (0.65) GAACA1CA2CA12CA5A
SCHEMBL15618993 0.79 GAA (0.48) GAACA1CA2CA12CA5A
SCHEMBL13181092 0.79 GAA (0.69) GAACYP19A1KDM4EATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513812-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
US-7166607-B2 Substituted indoles ASTRAZENECA AB (SE) 2007-01-23 US disclosed
US-20050165055-A1 Novel substituted indoles ASTRAZENECA AB (SE) 2005-07-28 US disclosed
EP-1513812-A1 SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-03-16 EP disclosed
WO-2003101961-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO 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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 GAA 3816/4885CA1 3584/4885CA2 1367/4885

“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.