SCHEMBL411648

SCHEMBL411648

CC1(C)OC(=O)C(C(=O)Cc2cc(F)c(F)cc2F)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2858880 0.92 BACE1 (0.35) BACE1DPP4DPP8DPP7OPRM1
SCHEMBL29181819 0.87 BACE1 (0.37) BACE1
SCHEMBL31048975 0.81 BACE1 (0.42) BACE1HCAR2
SCHEMBL23314044 0.81
SCHEMBL31551850 0.80 BACE1 (0.41) BACE1DPP4DPP8HCAR3HCAR2
SCHEMBL28978262 0.75 BACE1 (0.42) BACE1GLANPSR1
SCHEMBL698104 0.75 BACE1 (0.43) BACE1GLANPSR1
SCHEMBL29679997 0.74 PIK3CA (0.43) BACE1HDAC1GLANPSR1
SCHEMBL24535005 0.74 PIK3CA (0.43) BACE1HDAC1GLANPSR1
SCHEMBL29679895 0.74 KDM4E (0.39) BACE1GLANPSR1

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
WO-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed
US-11965193-B2 Use of stereoselective transaminase in asymmetric synthesis of chiral amine ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2024-04-23 US disclosed
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-11499172-B2 Use of stereoselective transaminase in asymmetric synthesis of chiral amine ABIOCHEM BIOTECHNOLOGY CO., LTD. (CN) 2022-11-15 US disclosed
US-20210123080-A1 METHOD FOR BIOCATALYTIC SYNTHESIS OF SITAGLIPTIN AND INTERMEDIATE THEREOF CHINA FORTUNE WAY COMPANY (CN) 2021-04-29 US disclosed
CN-112195201-A Application of stereoselective transaminase in asymmetric synthesis of chiral amine 弈柯莱生物科技(上海)股份有限公司 2021-01-08 CN disclosed
CN-110914417-B Application of stereoselective transaminase in asymmetric synthesis of chiral amine 弈柯莱生物科技(上海)股份有限公司 2020-10-27 CN disclosed
EP-3156391-B1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD ZHEJIANG HUAHAI PHARM CO LTD (CN) 2020-09-02 EP disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 EP disclosed
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-10-28 US disclosed
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-10-28 US disclosed
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-10-28 US disclosed
EP-2230241-A1 TETRAHYDRO-IMIDAZOÝ1,5-A¨PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-09-22 EP disclosed
EP-2230241-A1 TETRAHYDRO-IMIDAZOÝ1,5-A¨PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-09-22 EP disclosed
CN-101641360-A Piperazine derivatives, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN disclosed
CN-101641361-A Tetrahydroimidazo [1, 5-a ] pyrazine derivative, preparation method and application thereof in medicine SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN disclosed
US-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 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 (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-20210123080-A1 METHOD FOR BIOCATALYTIC SYNTHESIS OF SITAGLIPTIN AND INTERMEDIATE THEREOF DPP4, SI, DPP9 BACE1 185/4885MMP1 976/4885MMP2 116/4885
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO BACE1 818/4885MMP1 4556/4885MMP2 3500/4885
US-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP3, DPP7 BACE1 187/4885MMP1 178/4885MMP2 49/4885
US-20100273786-A1 TETRAHYDRO-IMIDAZ0[1,5-A]PYRAZINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 BACE1 216/4885MMP1 194/4885MMP2 50/4885

“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.