Sugi Predict

Sugi Predict / Compounds / SCHEMBL725284

SCHEMBL725284

SCHEMBL725284

COC(=O)CC(=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.41
▸ HSP90AB1 P08238 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL30167907 1.00 DPP4 (0.41) DPP4HSP90AB1HDAC1HDAC8RORC
SCHEMBL30633059 0.87 HSP90AB1 (0.46) DPP4HSP90AB1HDAC1HDAC8RORC
SCHEMBL5084281 0.87 HSP90AB1 (0.46) DPP4HSP90AB1HDAC1HDAC8RORC
SCHEMBL8047209 0.87 RORC (0.34) DPP4HSP90AB1RORCSMN1; SMN2MTNR1A
SCHEMBL411643 0.85 GAA (0.44) DPP4HDAC1HDAC8SMN1; SMN2GAA
SCHEMBL28301761 0.83 MTNR1A (0.48) DPP4HDAC1HDAC8RORCMTNR1A
SCHEMBL28667462 0.83 TSHR (0.39) DPP4HDAC1HDAC8SMN1; SMN2KMT2A
SCHEMBL28259907 0.82 FAAH (0.40) DPP4HDAC1HDAC8SMN1; SMN2MMP2
SCHEMBL12187861 0.81 HDAC1 (0.40) DPP4HDAC1HDAC8MTNR1AMTNR1B
SCHEMBL15778100 0.81 IDO1 (0.46) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012819-A1 RECOMBINANT TRANSAMINASE POLYPEPTIDES QUANTUMZYME LLP (IN) 2023-02-09 — — WO claimed
CN-110759914-A Preparation method of medicine for treating diabetes 美华东进国际生物医药研究院有限公司 2020-02-07 — — CN claimed
CN-105018440-A Aminotransferase and application thereof to synthesis of sitagliptin intermediate NANJING ABIOCHEM BIOMEDICAL TECHNOLOGY CO LTD 2015-11-04 — — CN claimed
EP-2609099-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV Limited (IN) 2013-07-03 — — EP claimed
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2013-06-20 — — US claimed
WO-2012025944-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2012-03-01 — — WO claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 — — WO claimed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 — — US claimed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 — — WO claimed
CN-118063351-B Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-06-28 — — CN disclosed
CN-118063351-A Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-05-24 — — CN disclosed
CN-115819260-B Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2024-03-19 — — CN disclosed
US-11932886-B2 Engineered transaminase polypeptides and uses thereof ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2024-03-19 — — US disclosed
CN-117467733-B High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-03-12 — — CN disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 — — US disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 — — US disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 — — US disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 — — WO disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 — — WO disclosed
WO-2004085661-A2 PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES MERCK & CO., INC (US) 2004-10-07 — — 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 (2 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-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF DPP4, DPP3, DPP9 DPP4 1/4885HSP90AB1 3499/4885HDAC1 3064/4885
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction DPP4, DPP3, SI DPP4 1/4885HSP90AB1 2419/4885HDAC1 1386/4885

“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.