SCHEMBL3879418

SCHEMBL3879418

CC(C)(NC(=O)O)C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
TAS2R38 P59533 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14152046 0.79 MAPT (0.34) ALDH1A1KMT2A
SCHEMBL1083392 0.76 EPHX1 (0.31) EPHX1TAS2R38ALDH1A1
SCHEMBL9451891 0.73 GAA (0.38) ALDH1A1MEN1KMT2A
SCHEMBL18125958 0.73 KDM4C (0.48) ALDH1A1
SCHEMBL14152152 0.71 CYP1A2 (0.32)
SCHEMBL14152151 0.71 CYP1A2 (0.32)
Carbamic Acid SCHEMBL8964476 0.70 ACHE (0.41) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL3888653 0.70 EPHX1 (0.33) EPHX1TAS2R38ALDH1A1MEN1KMT2A
SCHEMBL3086485 0.70 CYP1A2 (0.30)
SCHEMBL21712593 0.69 ALDH1A1 (0.32) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 US disclosed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-9290451-B2 2016-03-22 US disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US 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 (6 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-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 EPHX1 1775/4885TAS2R38 165/4885ALDH1A1 915/4885
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 EPHX1 853/4885TAS2R38 501/4885ALDH1A1 269/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 EPHX1 1775/4885TAS2R38 165/4885ALDH1A1 915/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 EPHX1 1775/4885TAS2R38 165/4885ALDH1A1 915/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 EPHX1 1775/4885TAS2R38 165/4885ALDH1A1 915/4885
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 EPHX1 853/4885TAS2R38 501/4885ALDH1A1 269/4885

“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.