SCHEMBL214373

SCHEMBL214373

O=C(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.67
▸ DPP8 Q6V1X1 8/20 0.67
▸ DPP9 Q86TI2 2/20 0.67
▸ DPP7 Q9UHL4 2/20 0.67
▸ ACE P12821 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ FAP Q12884 1/20 0.67

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
SCHEMBL29558815 1.00 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL3513247 0.90 DPP4 (0.86) DPP4DPP8DPP9DPP7ACE
SCHEMBL25840245 0.90 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL3793968 0.88 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL28452793 0.88 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3793975 0.88 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL25304263 0.87 DPP4 (0.69) DPP4DPP8DPP9DPP7ACE
SCHEMBL24713208 0.85 DPP4 (0.50) DPP4DPP8DPP9DPP7ACE
SCHEMBL13472178 0.85 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL4535123 0.85 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS CODEXIS, INC. (US) 2026-03-19 — — US claimed
US-20250313814-A1 OMEGA-TRANSAMINASE MUTANT AND APPLICATION THEREOF ZHEJIANG YONGTAI PHARMACEUTICAL CO., LTD. (CN) 2025-10-09 — — US claimed
EP-4506451-A1 OMEGA-TRANSAMINASE MUTANT AND USE THEREOF Zhejiang Yongtai Technology Co., Ltd. (CN) 2025-02-12 — — EP claimed
CN-119082067-A Artificial transaminase for synthesis of sitagliptin 上海邦林生物科技有限公司 2024-12-06 — — CN claimed
CN-117286130-A Method for covalently immobilizing transaminase by using aminated carbon nano tube 浙江工业大学 2023-12-26 — — CN claimed
CN-115873816-A Transaminase mutant for synthesizing sitagliptin 上海邦林生物科技有限公司 2023-03-31 — — CN claimed
US-20210332399-A1 TRANSAMINASE BIOCATALYSTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-10-28 — — US claimed
US-11078505-B2 Transaminase biocatalysts CODEXIS, INC. (US) 2021-08-03 — — US claimed
CN-111518783-B Recombinant (R) -omega-transaminase, mutant and application thereof in preparation of sitagliptin 浙江工业大学 2021-07-23 — — CN claimed
CN-109777813-B transaminase-PLP co-immobilized enzyme and preparation and application thereof 浙江工业大学 2021-05-07 — — CN claimed
WO-2013065066-A1 PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE CADILA HEALTHCARE LIMITED (IN) 2013-05-10 — — WO claimed
WO-2012177527-A1 IMMOBILIZED TRANSAMINASES AND PROCESS FOR MAKING AND USING IMMOBILIZED TRANSAMINASE MERCK SHARP & DOHME CORP. (US) 2012-12-27 — — WO claimed
US-20120329108-A1 Transaminase Biocatalysts CODEXIS, INC. (US) 2012-12-27 — — US claimed
WO-2011142825-A2 NOVEL SULFUR CONTAINING COMPOUNDS DISSYMMETRIX (P) LTD. (IN) 2011-11-17 — — WO claimed
EP-2331545-A2 IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE&NEW IMPURITIES IN PREPARATION THEREOF Cadila Healthcare Limited (IN) 2011-06-15 — — EP claimed
WO-2011060213-A2 PREPARATION OF SITAGLIPTIN AND SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2011-05-19 — — WO claimed
US-20100285541-A1 TRANSAMINASE BIOCATALYSTS CODEXIS, INC. (US) 2010-11-11 — — US claimed
US-20100274017-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICLLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-28 — — US claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 — — WO claimed
WO-2010032264-A2 IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2010-03-25 — — WO claimed

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-20100285541-A1 TRANSAMINASE BIOCATALYSTS GOT1, GOT2, ENPEP DPP4 80/4885DPP8 58/4885DPP9 46/4885
US-20100274017-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICLLY ACCEPTABLE SALTS THEREOF DPP4, DPP9, DPP8 DPP4 1/4885DPP8 3/4885DPP9 2/4885
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS XDH, AGXT, PEPD DPP4 145/4885DPP8 94/4885DPP9 88/4885

“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.

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