Sugi Predict

Sugi Predict / Compounds / SCHEMBL426249

SCHEMBL426249

SCHEMBL426249

CC(C)(C)OC(=O)NCC[NH]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.58
▸ MEN1 O00255 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CA12 O43570 7/20 0.47
▸ CA1 P00915 7/20 0.47
▸ CA2 P00918 7/20 0.47
▸ CA9 Q16790 7/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ IDO1 P14902 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.41
▸ BCHE P06276 1/20 0.39
▸ NQO2 P16083 1/20 0.39

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
SCHEMBL5451143 0.88 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.86 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10431136 0.86 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4700665 0.84 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10431367 0.84 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10556286 0.84 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10558402 0.84 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10077316 0.83 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.82 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.82 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 — — US claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 — — US claimed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 — — US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 — — US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 — — EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 — — WO claimed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 — — EP claimed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 — — WO claimed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 — — EP claimed
EP-3109235-A1 METHOD OF PRODUCING PYRIDONE DERIVATIVES Shionogi & Co., Ltd (JP) 2016-12-28 — — EP disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 — — US disclosed
EP-2412709-B1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO (JP) 2016-05-18 — — EP disclosed
US-9260453-B2 Method for producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-02-16 — — US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 — — US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 — — US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 — — EP disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 — — EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — 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 (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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 TDP1 2779/4885MEN1 486/4885GAA 2444/4885
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF TDP1 2222/4885MEN1 3388/4885GAA 4162/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R TDP1 1409/4885MEN1 756/4885GAA 3522/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 TDP1 1704/4885MEN1 871/4885GAA 3690/4885

“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.