SCHEMBL3590286

SCHEMBL3590286

Cc1cc(CS(N)(=O)=O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA5A P35218 2/20 0.49
CA9 Q16790 2/20 0.49
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
KIF11 P52732 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DAO P14920 1/20 0.42
MMP13 P45452 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 2/20 0.37
MPO P05164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL3217315 0.85 CA2 (0.49) CA1CA2CA5ACA9PTGS2
SCHEMBL24415722 0.82 CA2 (0.53) CA1CA2CA5ACA9PTGS2
SCHEMBL3208747 0.82 CA1 (0.48) CA1CA2CA5ACA9PTGS2
SCHEMBL17057852 0.81 DAO (0.42) PTGS2PTGS1SLC6A2SLC6A4SLC6A3
SCHEMBL15787670 0.81 SLC6A2 (0.42) PTGS2PTGS1SLC6A2SLC6A4SLC6A3
SCHEMBL8118864 0.79 CA2 (0.50) CA1CA2CA5ACA9KIF11
SCHEMBL1736020 0.79 CA2 (0.50) CA1CA2CA5ACA9KIF11
SCHEMBL3648650 0.75 KIF11 (0.51) CA1CA2CA5ACA9KIF11
SCHEMBL20758770 0.74 CA1 (0.44) CA1CA2CA5ACA9PTGS2
SCHEMBL2093201 0.74 DAO (0.47) PTGS2PTGS1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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 (3 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 CA1 4603/4885CA2 2596/4885CA5A 1092/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 CA1 4845/4885CA2 3764/4885CA5A 2613/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 CA1 4624/4885CA2 2580/4885CA5A 1546/4885

“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.