SCHEMBL3329020

SCHEMBL3329020

NS(=O)(=O)Cc1cccc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.49
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 3/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
RIPK1 Q13546 1/20 0.36
IDO1 P14902 2/20 0.35
KEAP1 Q14145 1/20 0.34
MPO P05164 1/20 0.34

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
SCHEMBL51098 0.83 LMNA (0.52) AKR1B1CA1CA2CA5ACA9
SCHEMBL30409980 0.83 LMNA (0.52) AKR1B1CA1CA2CA5ACA9
Hydrochloric Acid SCHEMBL5461968 0.82 CA2 (0.41) AKR1B1CA1CA2CA5ACA9
SCHEMBL777618 0.82 AKR1B1 (0.50) AKR1B1LMNAKMT2ATAAR1MEN1
Hydrochloric Acid SCHEMBL20502511 0.82 LMNA (0.50) AKR1B1CA1CA2CA5ACA9
SCHEMBL16058359 0.82 CA2 (0.45) AKR1B1CA1CA2CA5ACA9
SCHEMBL4881602 0.81 CA1 (0.39) AKR1B1CA1CA2CA5ACA9
SCHEMBL2376973 0.80 AKR1B1 (0.49) AKR1B1CA1CA2LMNAALOX5AP
SCHEMBL20498046 0.80 AKR1B1 (0.49) AKR1B1LMNAPTGES2KMT2ATAAR1
SCHEMBL2376971 0.80 AKR1B1 (0.49) AKR1B1LMNAPTGES2KMT2ATAAR1

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 4 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
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 AKR1B1 1410/4885CA1 4482/4885CA2 2341/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 AKR1B1 1868/4885CA1 4602/4885CA2 2193/4885

“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.