SCHEMBL3208747

SCHEMBL3208747

NS(=O)(=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA5A P35218 3/20 0.48
CA9 Q16790 3/20 0.48
KIF11 P52732 1/20 0.46
SOS1 Q07889 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
DAO P14920 2/20 0.38
MLNR O43193 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL2395004 0.83 HTT (0.41) ALDH1A1HTTDAOMLNRCYP2D6
SCHEMBL31572406 0.83 HTT (0.41) ALDH1A1HTTDAOMLNRCYP2D6
SCHEMBL3590286 0.82 CA1 (0.49) CA1CA2CA5ACA9KIF11
SCHEMBL3217315 0.82 CA2 (0.49) CA1CA2CA5ACA9KIF11
SCHEMBL20758770 0.82 CA1 (0.44) CA1CA2CA5ACA9KIF11
SCHEMBL3648650 0.80 KIF11 (0.51) CA1CA2CA5ACA9KIF11
SCHEMBL2375894 0.79 HTT (0.39) SOS1ALDH1A1HTTDAOMLNR
SCHEMBL2375896 0.79 MAOA (0.39) ALDH1A1HTTDAOMLNRCYP2D6
SCHEMBL9390727 0.79 HTT (0.39) ALDH1A1HTTDAOMLNRCYP2D6
Hydrochloric Acid SCHEMBL28163857 0.78 MAOB (0.38) ALDH1A1HTTDAOMLNRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP 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
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 (5 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 CA1 4482/4885CA2 2341/4885CA5A 922/4885
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
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 CA1 4880/4885CA2 3694/4885CA5A 3175/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 CA1 4602/4885CA2 2193/4885CA5A 1873/4885

“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.