SCHEMBL3226350

SCHEMBL3226350

CC1CCC(CS(N)(=O)=O)CC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL626034 0.87
SCHEMBL13539005 0.86 INPP5A (0.35)
SCHEMBL4896327 0.85 CA1 (0.33) DGAT1
Hydrochloric Acid SCHEMBL3709128 0.85
SCHEMBL15014541 0.78 KDM4E (0.32) KDM4EALDH1A1ALOX15
SCHEMBL14708341 0.78 KDM4E (0.32) KDM4EALDH1A1ALOX15
SCHEMBL13539004 0.78 EPHX2 (0.37)
SCHEMBL22576810 0.78 DGAT1 (0.31) DGAT1
SCHEMBL636443 0.77
SCHEMBL1795365 0.77 CA2 (0.37)

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 11 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
WO-2010010934-A1 HETEROCYCLIDENE DERIVATIVE HAVING P-SUBSTITUTED ARYLACETAMIDE 持田製薬株式会社 (JP) 2010-01-28 WO disclosed
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP 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
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (4 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 DGAT1 4581/4885KDM4E 2658/4885ALDH1A1 1928/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 DGAT1 4383/4885KDM4E 3901/4885ALDH1A1 1691/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 DGAT1 4049/4885KDM4E 2864/4885ALDH1A1 2394/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 DGAT1 4441/4885KDM4E 1759/4885ALDH1A1 1274/4885

“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.