SCHEMBL807050

SCHEMBL807050

CC(C)C(C)C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA3 P32297 1/20 0.33
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
DPP4 P27487 2/20 0.31

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
SCHEMBL14984981 1.00 ALDH1A1 (0.35) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL14984976 1.00 ALDH1A1 (0.35) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL22041631 0.82 ALDH1A1 (0.32) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL888942 0.80 DPP4 (0.31) DPP4
SCHEMBL21228068 0.79 CHRNB2 (0.37) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL21228065 0.79 CHRNB2 (0.37) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL21228294 0.79 CHRNB2 (0.37) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL3656233 0.77 DPP4 (0.32) DPP4
SCHEMBL18909888 0.77 DPP4 (0.32) DPP4
SCHEMBL18907366 0.77 DPP4 (0.32) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-09-28 US disclosed
CN-107849362-B Resin composition for display substrate, heat-resistant resin film using same, organic EL display substrate, and method for producing organic EL display 东丽株式会社 2020-09-15 CN disclosed
US-20200207915-A1 RESIN COMPOSITION, METHOD OF PRODUCING RESIN FILM, AND METHOD OF PRODUCING ELECTRONIC DEVICE TORAY INDUSTRIES, INC. (JP) 2020-07-02 US disclosed
CN-108431135-B Resin composition, method for producing resin film, and method for producing electronic device 东丽株式会社 2020-06-23 CN disclosed
US-20200157405-A1 Oil Well Cement Settlement Stabilizer for High-Temperature Cementing of Oil and Gas Wells and Preparation Method Thereof, and Cement Slurry CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2020-05-21 US disclosed
US-10655048-B1 Oil well cement settlement stabilizer for high-temperature cementing of oil and gas wells and preparation method thereof, and cement slurry CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2020-05-19 US disclosed
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2020-05-14 US disclosed
CN-111051432-A Resin composition, method for producing resin film, and method for producing electronic device 东丽株式会社 2020-04-21 CN disclosed
US-10590306-B2 Resin composition for display substrate, and heat-resistant resin film, organic EL display substrate, and method for manufacturing organic EL display using same TORAY INDUSTRIES, INC. (JP) 2020-03-17 US disclosed
US-20190055428-A1 RESIN COMPOSITION FOR DISPLAY SUBSTRATE, AND HEAT-RESISTANT RESIN FILM, ORGANIC EL DISPLAY SUBSTRATE, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY USING SAME TORAY INDUSTRIES, INC. (JP) 2019-02-21 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7713681-B2 Method for preparation of lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-11 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20080160451-A1 METHOD FOR PREPARATION OF LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-07-03 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ALDH1A1 208/4885TSHR 3257/4885CHRNB2 4816/4885
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein MCL1, BCL2A1, BCL2L1 ALDH1A1 475/4885TSHR 4554/4885CHRNB2 4868/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ALDH1A1 1556/4885TSHR 3904/4885CHRNB2 4297/4885
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 ALDH1A1 475/4885TSHR 4554/4885CHRNB2 4868/4885

“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.