Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007604

SCHEMBL2007604

SCHEMBL2007604

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.67
▸ MGAM O43451 1/20 0.67
▸ SI P14410 1/20 0.67
▸ MGAM2 Q2M2H8 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37

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
Ethyl Acetate SCHEMBL14690783 0.91 ALDH1A1 (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27787089 0.84 GAA (0.65) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11748210 0.81 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1864301 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.81 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24528901 0.81 FAAH (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6081987 0.81 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956439-B1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE CIPLA LTD (IN) 2019-01-09 — — EP claimed
US-9890121-B2 Process for preparing atazanavir sulphate CIPLA LIMITED (IN) 2018-02-13 — — US claimed
US-20160002166-A1 Process for Preparing Atazanavir Sulphate CIPLA LIMITED (IN) 2016-01-07 — — US claimed
EP-2956439-A1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE Cipla Limited (IN) 2015-12-23 — — EP claimed
WO-2014125270-A1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE CIPLA HOUSE (IN) 2014-08-21 — — WO claimed
EP-3233054-B1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER (US) 2021-06-30 — — EP disclosed
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 — — US disclosed
US-10660959-B2 Formulations of a PI3K/mTOR-inhibitor for intravenous administration PFIZER INC. (US) 2020-05-26 — — US disclosed
US-20190105390-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER INC. (US) 2019-04-11 — — US disclosed
EP-2956439-B1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE CIPLA LTD (IN) 2019-01-09 — — EP disclosed
US-10172942-B2 Formulations of a PI3K/mTor-inhibitor for intravenous administration PFIZER INC. (US) 2019-01-08 — — US disclosed
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 — — US disclosed
US-5478856-A Styrene derivatives and salts thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 — — US disclosed
EP-0623603-A1 STYRENE DERIVATIVE AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 — — EP disclosed
US-5089175-A Treatment of disorders of skin and mucous membranes SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? — 1992-01-08 — — EP disclosed
EP-0104070-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-30 — — EP disclosed
US-4407797-A ANTIULCER AGENT RHONE-POULENC SANTE (FR) 1983-10-04 — — US disclosed
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 — — US disclosed
US-RE29305-E HARDENABLE HYDROPHILIC COLLOIDS, PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1977-07-12 — — 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 (6 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 GAA 2458/4885MGAM 2694/4885SI 3027/4885
US-10660959-B2 Formulations of a PI3K/mTOR-inhibitor for intravenous administration MTOR, RICTOR, PIK3CD GAA 1702/4885MGAM 2533/4885SI 794/4885
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS DHPS, NUDT1, DPYD GAA 491/4885MGAM 1313/4885SI 1004/4885
US-20160002166-A1 Process for Preparing Atazanavir Sulphate SAMHD1, TPMT, ASH2L GAA 1100/4885MGAM 1351/4885SI 205/4885
US-20190105390-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION MTOR, RICTOR, PIK3CD GAA 1702/4885MGAM 2533/4885SI 794/4885
US-10172942-B2 Formulations of a PI3K/mTor-inhibitor for intravenous administration MTOR, RICTOR, PIK3CD GAA 1992/4885MGAM 2492/4885SI 888/4885

“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.