SCHEMBL3598330

SCHEMBL3598330

Cc1ccc(F)c(CS(N)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 1/20 0.39
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
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
AKR1B1 P15121 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA5A P35218 3/20 0.36
CA12 O43570 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
SCHEMBL21826835 0.85 PTGS1 (0.40) PTGS1PTGS2TAAR1HTTCA2
SCHEMBL15473436 0.83 HTT (0.43) PTGS1PTGS2TAAR1HTTPSEN1
SCHEMBL4878296 0.81 TAAR1 (0.52) TAAR1HTTCA2CA1CA9
SCHEMBL30408547 0.81 PSEN1 (0.57) PTGS1PTGS2HTTPSEN1PSEN2
SCHEMBL4875195 0.81 TAAR1 (0.52) TAAR1HTTCA2CA1CA9
SCHEMBL28711306 0.76 CA1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29468008 0.76 CA1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8239069 0.76 TAAR1 (0.43) TAAR1HTTAKR1B1RAB9AAMY1A
SCHEMBL583371 0.74 TAAR1 (0.52) TAAR1AMY1A
SCHEMBL32671762 0.74 ALDH1A1 (0.40) CA2CA1CA9CA5ACA12

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 PTGS1 215/4885PTGS2 327/4885TAAR1 231/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 PTGS1 166/4885PTGS2 458/4885TAAR1 1018/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 PTGS1 182/4885PTGS2 339/4885TAAR1 146/4885

“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.