SCHEMBL3590381

SCHEMBL3590381

NS(=O)(=O)Cc1c(F)ccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.40
CA1 P00915 8/20 0.40
CA9 Q16790 5/20 0.40
CA5A P35218 3/20 0.40
CA12 O43570 6/20 0.35
CA7 P43166 5/20 0.35
CA13 Q8N1Q1 3/20 0.35
KIF11 P52732 1/20 0.35
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
SOS1 Q07889 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3601572 0.80 CA1 (0.46) CA2CA1CA9CA5ACA12
SCHEMBL8182846 0.79 VCAM1 (0.44) CA2CA1CA9CA5ACA12
SCHEMBL2378027 0.78 PTGS2 (0.38) CA2CA1PTGS1PTGS2CES2
SCHEMBL2378025 0.78 CES2 (0.31) CES2CES1
SCHEMBL16058359 0.77 CA2 (0.45) CA2CA1CA9CA5ACA12
SCHEMBL14378236 0.77 CYP3A4 (0.36) PTGS2CES2CES1
SCHEMBL31503471 0.72 TAAR1 (0.56) CA2CA1CA9CA12RXFP1
SCHEMBL14426969 0.72 CYP3A4 (0.40)
SCHEMBL1364668 0.71 PSEN1 (0.57) CA2CA1CA9CA5ACA12
SCHEMBL3329020 0.71 AKR1B1 (0.49) CA2CA1CA9CA5ACES2

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 CA2 2596/4885CA1 4603/4885CA9 3436/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 CA2 3764/4885CA1 4845/4885CA9 4563/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 CA2 2580/4885CA1 4624/4885CA9 3962/4885

“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.