SCHEMBL4098072

SCHEMBL4098072

O=C(NS(=O)(=O)c1ccc(Cl)s1)OCC(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
MAPT P10636 2/20 0.43
P2RY12 Q9H244 3/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL195598 0.83 P2RY12 (0.53) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL28079459 0.77 PSEN1 (0.52) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL194745 0.74 MAPT (0.53) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL3933822 0.73 FBP1 (0.49) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL3663503 0.72 MAPT (0.51) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL682128 0.72 MAPT (0.63) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL3933827 0.72 FBP1 (0.48) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL9920073 0.70 ALDH1A1 (0.42) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL265540 0.70 FBP1 (0.52) FBP1PSEN1PSEN2APH1BNCSTN
SCHEMBL11867864 0.69 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 FBP1 734/4885PSEN1 909/4885PSEN2 1146/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 FBP1 243/4885PSEN1 1226/4885PSEN2 1796/4885

“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.