SCHEMBL3596830

SCHEMBL3596830

Cc1ccc(F)cc1CS(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEP1B Q16820 1/20 0.38
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
CA5A P35218 2/20 0.36
SLC6A4 P31645 4/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS1 P23219 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
SCHEMBL8372886 0.85 KMT2A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30408547 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4878296 0.81 TAAR1 (0.52) CA2CA1CA9CA5ATSHR
SCHEMBL4875195 0.81 TAAR1 (0.52) CA2CA1CA9CA5ATSHR
SCHEMBL3229354 0.77 IDO1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8240380 0.76 SLC6A4 (0.40) MEP1BSLC6A4TSHRMAPK1HTR2A
SCHEMBL3327263 0.74 CA12 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1825491 0.74 MPO (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2651660 0.74 SLC6A4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6731212 0.72 MPO (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 PSEN1 1280/4885PSEN2 1332/4885APH1B 3038/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 PSEN1 1481/4885PSEN2 2529/4885APH1B 2594/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 PSEN1 1066/4885PSEN2 1598/4885APH1B 3094/4885

“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.