SCHEMBL4105145

SCHEMBL4105145

O=C(NS(=O)(=O)c1ccc(Cl)s1)C1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
STS P08842 5/20 0.48
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
F10 P00742 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL4100013 0.85 STS (0.69) P2RY12STSMMP13KMT2AMAPT
SCHEMBL22089516 0.81 P2RY12 (0.49) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4105171 0.80 P2RY12 (0.48) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28805541 0.78 STS (0.70) CYP3A4CYP2D6STSL3MBTL1ALDH1A1
SCHEMBL22089497 0.78 ALDH1A1 (0.47) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4112645 0.76 P2RY12 (0.77) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22089492 0.75 STS (0.57) P2RY12STSMMP13MAPTPSEN1
SCHEMBL3177517 0.75 PSEN1 (0.46) MMP8MMP12MMP13F10PSEN1
SCHEMBL5616142 0.75 P2RY12 (0.57) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5277905 0.74 STS (0.72) STSEPHX2ALDH1A1GAAKMT2A

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 P2RY12 1/4885CYP1A2 1087/4885CYP3A4 801/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP1A2 620/4885CYP3A4 324/4885

“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.