SCHEMBL777142

SCHEMBL777142

CC(C)CNS(=O)(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.54
GRIA4 P48058 13/20 0.44
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36

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
SCHEMBL8909346 0.81 GRIA1 (0.41) GRIA1GRIA4CA12CA7CA9
SCHEMBL22002855 0.79 GRIA1 (0.50) GRIA1GRIA4GRIA2GRIA3
SCHEMBL13594561 0.79 GRIA1 (0.50) GRIA1GRIA4GRIA2GRIA3
SCHEMBL14769579 0.79 CA12 (0.37) GRIA1GRIA4CA12CA7CA9
SCHEMBL13610004 0.77 GRIA1 (0.75) GRIA1GRIA4GRIA2GRIA3
SCHEMBL12898957 0.75 GRIA4 (0.47) GRIA1GRIA4GRIA2GRIA3
SCHEMBL91255 0.74
SCHEMBL777408 0.74
SCHEMBL18198023 0.74 GRIA1 (0.62) GRIA1GRIA4ALDH1A1
SCHEMBL12884416 0.74 GRIA4 (0.46) GRIA1GRIA4GRIA2GRIA3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed
WO-2022120354-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 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 (12 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 GRIA1 477/4885GRIA4 288/4885GRIA2 331/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH GRIA1 4045/4885GRIA4 3596/4885GRIA2 4345/4885
US-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 GRIA1 3012/4885GRIA4 3487/4885GRIA2 3793/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH GRIA1 4470/4885GRIA4 4191/4885GRIA2 4426/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 GRIA1 511/4885GRIA4 1235/4885GRIA2 1009/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 GRIA1 588/4885GRIA4 1233/4885GRIA2 1121/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GRIA1 4470/4885GRIA4 4191/4885GRIA2 4426/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 GRIA1 1609/4885GRIA4 3221/4885GRIA2 2589/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 GRIA1 1437/4885GRIA4 2360/4885GRIA2 1719/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 GRIA1 477/4885GRIA4 288/4885GRIA2 331/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 GRIA1 3562/4885GRIA4 3629/4885GRIA2 4083/4885
US-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM GRIA1 2199/4885GRIA4 1506/4885GRIA2 1607/4885

“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.