SCHEMBL718684

SCHEMBL718684

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 6/20 0.47
CTSS P25774 3/20 0.47
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
ACE P12821 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL5916340 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL20473230 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14777839 0.90 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2721298 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2721300 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14777840 0.90 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
Ethyl Acetate SCHEMBL6670678 0.89 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14788874 0.88 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14788877 0.88 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2564729 0.88 PPARA (0.48) CYP1A2CYP2C9CYP2C19HTTKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111727190-B Pyridylimidazole benzodiazepine Zhuo Bingsuan ester compound and synthesis and application thereof 杭州奥默医药股份有限公司 2023-10-27 CN disclosed
CN-108137606-B Short-acting benzodiazepine derivatives, method for the production thereof and use thereof 四川科伦博泰生物医药股份有限公司 2021-01-26 CN disclosed
CN-106892924-B Short-acting benzodiazepine derivatives, method for the production thereof and use thereof 四川科伦博泰生物医药股份有限公司 2021-01-08 CN disclosed
CN-108863888-A The preparation method of one kind (s) -1- (tertbutyloxycarbonyl) -5- oxygen pyrrolidines -2- carboxylic acid, ethyl ester 吉尔生化(上海)有限公司 2018-11-23 CN disclosed
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
CN-1185008-C Therapeutic compositions containing glutathione analogs TELIK INC (US) 2005-01-19 CN disclosed
CN-1342084-A Therapeutic compositions containing glutathione analogs TELIK INC (US) 2002-03-27 CN 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 (3 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 CYP1A2 1032/4885CYP2C9 928/4885CYP2C19 591/4885
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 CYP1A2 119/4885CYP2C9 117/4885CYP2C19 50/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 CYP1A2 1022/4885CYP2C9 855/4885CYP2C19 559/4885

“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.