SCHEMBL4871046

SCHEMBL4871046

COc1ccc(OCCCS(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
TSHR P16473 1/20 0.51
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MMP8 P22894 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
SCHEMBL9913967 0.83 ALDH1A1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL3056009 0.81 MAPT (0.50) LTA4HALDH1A1MAPTHPGDL3MBTL1
SCHEMBL737130 0.81 MEN1 (0.49) CA1CA2CA9CA12CA7
SCHEMBL3085704 0.81 KCNA3 (0.58) CA1CA2CA9CA12CA7
SCHEMBL5583947 0.80 MEN1 (0.51) CA1CA2CA9CA12CA7
SCHEMBL2093098 0.80 CA1 (0.58) CA1CA2CA9CA12ALDH1A1
SCHEMBL5583945 0.80 MEN1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL21328231 0.79 CA1 (0.57) CA1CA2CA9CA12ALDH1A1
SCHEMBL10153747 0.79 ALDH1A1 (0.48) TSHRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL9451340 0.78 CA1 (0.55) CA1CA2CA9CA12CA7

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
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 CA1 4880/4885CA2 3694/4885CA9 4611/4885

“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.