SCHEMBL2451977

SCHEMBL2451977

CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
IDO1 P14902 1/20 0.49
GAA P10253 1/20 0.49
PDK2 Q15119 1/20 0.47
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
RECQL P46063 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL29727448 1.00 MALT1 (0.52) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL25719625 0.92 GAA (0.58) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL12143602 0.92 MALT1 (0.50) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL31314288 0.92 MALT1 (0.50) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL8752938 0.91 TPSAB1 (0.51) MALT1IDO1GAATPSAB1TPSD1
SCHEMBL17264137 0.90 TPSAB1 (0.53) MALT1GAATPSAB1TPSD1TPSG1
SCHEMBL15344850 0.90 GAA (0.44) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL6298459 0.88 MALT1 (0.49) MALT1IDO1GAAPDK2TPSAB1
SCHEMBL12143071 0.86 GAA (0.54) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18756433 0.86 GAA (0.41) MALT1IDO1GAAPDK2TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
US-10766888-B1 HMOX1 inducers MITOBRIDGE INC. (US) 2020-09-08 US disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 US disclosed
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections ARRAY BIOPHARMA INC. 2004-09-09 US disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP 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 (8 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-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 MALT1 450/4885IDO1 123/4885GAA 1749/4885
US-10766888-B1 HMOX1 inducers HMOX1, HMOX2, HMBS MALT1 1235/4885IDO1 85/4885GAA 2202/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MALT1 3089/4885IDO1 2578/4885GAA 2590/4885
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 MALT1 1544/4885IDO1 3593/4885GAA 3025/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 MALT1 324/4885IDO1 2211/4885GAA 512/4885
US-20220177460-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS MALT1 1077/4885IDO1 74/4885GAA 2123/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MALT1 3089/4885IDO1 2578/4885GAA 2590/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 MALT1 324/4885IDO1 2211/4885GAA 512/4885

“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.