SCHEMBL18322797

SCHEMBL18322797

CCS(=O)(=O)N1CC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GLB1 P16278 1/20 0.32
PDK1 Q15118 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL3089720 0.86 ALDH1A1 (0.41) L3MBTL1POLBKDM4EALDH1A1ALOX15
SCHEMBL21795445 0.81 KDM4E (0.42) L3MBTL1POLBKDM4EALDH1A1ALOX15
SCHEMBL6918629 0.78 TSHR (0.44) L3MBTL1POLBKDM4EALDH1A1ALOX15
SCHEMBL12017936 0.78
SCHEMBL16478641 0.76 KDM4E (0.36) L3MBTL1POLBNPSR1KDM4EALDH1A1
SCHEMBL20690599 0.76 KDM4E (0.40) L3MBTL1POLBNPSR1KDM4EALDH1A1
SCHEMBL16472414 0.76 KDM4E (0.36) L3MBTL1POLBNPSR1KDM4EALDH1A1
SCHEMBL2551331 0.75 POLB (0.49) L3MBTL1POLBNPSR1KDM4EALDH1A1
SCHEMBL25341665 0.74 KDM4E (0.32) L3MBTL1POLBNPSR1KDM4EALDH1A1
SCHEMBL23163847 0.74 KDM4E (0.32) L3MBTL1POLBNPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP claimed
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE LILLY CO ELI (US) 2018-05-17 US claimed
EP-3310781-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE Eli Lilly and Company (US) 2018-04-25 EP claimed
CN-107660206-A For preparing the method and intermediate of { base of 1 (ethylsulfonyl) 3 [base of 4 (base of 7H pyrrolo-es [2,3 d] pyrimidine 4) 1H pyrazoles 1] azetidine 3 } acetonitrile 伊莱利利公司 2018-02-02 CN claimed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO claimed
WO-2016205487-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE ELI LILLY AND COMPANY (US) 2016-12-22 WO claimed
WO-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed
CN-119059953-A Method for rapidly synthesizing 1- (ethylsulfonyl) azetidin-3-one 吉林大学 2024-12-03 CN disclosed
CN-118852104-A Dihydro-quinoline-2-ketone compound and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-10-29 CN disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
US-10800775-B2 Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same ACLARIS THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-20190135807-A1 PYRAZOLYL PYRROLO[2,3-B]PYRMIDINE-5-CARBOXYLATE ANALOGS AND METHODS OF MAKING THE SAME ACLARIS THERAPEUTICS, INC. 2019-05-09 US disclosed
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE LILLY CO ELI (US) 2018-05-17 US disclosed
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE LILLY CO ELI (US) 2018-05-17 US disclosed
EP-3310781-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE Eli Lilly and Company (US) 2018-04-25 EP disclosed
CN-107660206-A For preparing the method and intermediate of { base of 1 (ethylsulfonyl) 3 [base of 4 (base of 7H pyrrolo-es [2,3 d] pyrimidine 4) 1H pyrazoles 1] azetidine 3 } acetonitrile 伊莱利利公司 2018-02-02 CN disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO disclosed
WO-2016205487-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE ELI LILLY AND COMPANY (US) 2016-12-22 WO disclosed
WO-2016205487-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE ELI LILLY AND COMPANY (US) 2016-12-22 WO 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-20190135807-A1 PYRAZOLYL PYRROLO[2,3-B]PYRMIDINE-5-CARBOXYLATE ANALOGS AND METHODS OF MAKING THE SAME JAK3, JAK1, JAK2 L3MBTL1 3275/4885POLB 1224/4885NPSR1 3767/4885
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE AZI2, SRMS, ABL1 L3MBTL1 4685/4885POLB 1300/4885NPSR1 3409/4885
US-10800775-B2 Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same JAK3, JAK1, JAK2 L3MBTL1 3275/4885POLB 1224/4885NPSR1 3767/4885

“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.