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Sugi Predict / Compounds / SCHEMBL1317487

SCHEMBL1317487

SCHEMBL1317487

COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CTSK P43235 9/20 0.47
▸ CTSS P25774 5/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA7 P43166 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL1763873 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2225458 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2390166 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15418649 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13076509 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL8056542 0.91 CTSK (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13040188 0.91 CTSK (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL27847191 0.91 CTSK (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL11175129 0.90 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL19422705 0.89 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19HTTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332801-B Preparation method of N-tert-butoxycarbonyl-L-glutamic acid dimethyl ester derivative 阜阳欣奕华制药科技有限公司 2025-02-18 — — CN claimed
CN-114605301-B Method for preparing Pa Luo Weide intermediate 江苏恒沛药物科技有限公司 2024-06-04 — — CN claimed
CN-116396191-A Preparation method of N-tert-butoxycarbonyl-L-glutamic acid dimethyl ester derivative 阜阳欣奕华制药科技有限公司 2023-07-07 — — CN claimed
CN-116332801-A Preparation method of N-tert-butoxycarbonyl-L-glutamic acid dimethyl ester derivative 阜阳欣奕华制药科技有限公司 2023-06-27 — — CN claimed
CN-114605301-A Method for preparing intermediate of palovir 江苏恒沛药物科技有限公司 2022-06-10 — — CN claimed
EP-3668863-B1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2025-03-19 — — EP disclosed
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 — — US disclosed
CN-116332801-B Preparation method of N-tert-butoxycarbonyl-L-glutamic acid dimethyl ester derivative 阜阳欣奕华制药科技有限公司 2025-02-18 — — CN disclosed
CN-114605301-B Method for preparing Pa Luo Weide intermediate 江苏恒沛药物科技有限公司 2024-06-04 — — CN disclosed
CN-113015726-B Ketone amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-03-08 — — CN disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — 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 (5 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP1A2 2103/4885CYP2C9 2901/4885CYP2C19 3098/4885
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CYP1A2 4154/4885CYP2C9 4519/4885CYP2C19 3980/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 CYP1A2 1859/4885CYP2C9 2956/4885CYP2C19 2008/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 CYP1A2 2215/4885CYP2C9 3710/4885CYP2C19 1976/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP1A2 2103/4885CYP2C9 2901/4885CYP2C19 3098/4885

“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.