SCHEMBL5314449

SCHEMBL5314449

CCOC(=O)CN(CC(C)=O)c1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.44
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL14508418 0.85 ALDH1A1 (0.37) NLRP3SMN1; SMN2HPGDMGAMGAA
SCHEMBL9832188 0.83 NLRP3 (0.43) NLRP3CA12CA1CA2CA9
SCHEMBL8913104 0.80 NLRP3 (0.49) NLRP3CA12CA1CA2CA9
SCHEMBL14508465 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HPGDGAAPPARGMEN1
SCHEMBL9832361 0.74 SMN1; SMN2 (0.41) NLRP3SMN1; SMN2L3MBTL1HPGDKMT2A
SCHEMBL14496794 0.73 NLRP3 (0.43) NLRP3CA12CA1CA2CA9
SCHEMBL9372436 0.73 NLRP3 (0.43) NLRP3CA12CA1CA2CA9
SCHEMBL11269011 0.72 NLRP3 (0.45) NLRP3CA12CA1CA2CA9
SCHEMBL14156297 0.71 ALDH1A1 (0.44) NLRP3CA12CA1CA2CA9
SCHEMBL16171348 0.71 PPARG (0.57) SMN1; SMN2L3MBTL1HPGDPPARGMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788324-A2 NOVEL PYRROLE DERIVATIVES University Of Leicester (GB) 2014-10-15 — — EP claimed
WO-2013083975-A2 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2013-06-13 — — WO claimed
EP-2602248-A1 Novel pyrrole compounds University Of Leicester (GB) 2013-06-12 — — EP claimed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 — — US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 — — US disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 — — US disclosed
EP-2788324-A2 NOVEL PYRROLE DERIVATIVES University Of Leicester (GB) 2014-10-15 — — EP disclosed
WO-2013083975-A2 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2013-06-13 — — WO disclosed
EP-2602248-A1 Novel pyrrole compounds University Of Leicester (GB) 2013-06-12 — — EP disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 — — US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 — — US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 — — US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 — — WO disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 — — 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 NLRP3 756/4885CA12 3307/4885CA1 2630/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR NLRP3 326/4885CA12 4244/4885CA1 4590/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR NLRP3 326/4885CA12 4244/4885CA1 4590/4885

“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.

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