SCHEMBL3052901

SCHEMBL3052901

CC(C)CC(N)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63
DPP7 Q9UHL4 1/20 0.63
ACE P12821 7/20 0.60
REN P00797 4/20 0.60
KDM4E B2RXH2 1/20 0.60
F2 P00734 1/20 0.60
LMNA P02545 1/20 0.60
LTA4H P09960 1/20 0.60
MAPT P10636 1/20 0.60
PEPD P12955 1/20 0.60
ALOX15 P16050 1/20 0.60
PTGS1 P23219 1/20 0.60
HTR2A P28223 1/20 0.60
PTGS2 P35354 1/20 0.60
HRH1 P35367 1/20 0.60
THPO P40225 1/20 0.60
PMP22 Q01453 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL11591710 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL30567640 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3052903 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL30729290 1.00 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL6679097 0.94 DPP4 (0.58) DPP4DPP8DPP9DPP7ACE
SCHEMBL6679094 0.94 DPP4 (0.58) DPP4DPP8DPP9DPP7ACE
Trifluoroacetic Acid SCHEMBL29802195 0.92 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
SCHEMBL15371247 0.91 ACE (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL31514391 0.91 ACE (0.54) DPP4DPP8DPP9DPP7ACE
SCHEMBL31518648 0.89 DPP4 (0.52) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116559308-A System for non-invasive assessment of neonatal intrauterine nutritional status and use thereof 国家卫生健康委科学技术研究所 2023-08-08 CN claimed
CN-113219106-B System for non-invasive evaluation of intrauterine nutrition status of newborn and application thereof 国家卫生健康委科学技术研究所 2023-01-31 CN claimed
CN-113219106-A System for non-invasive evaluation of intrauterine nutrition status of newborn and application thereof 国家卫生健康委科学技术研究所 2021-08-06 CN claimed
CN-108414660-B Application of group of plasma metabolism small molecule markers related to early diagnosis of lung cancer 中国药科大学 2020-03-20 CN claimed
US-20260036547-A1 METHODS FOR DETECTING METABOLITES USING A MICROFLUIDIC-BASED CE-MS SYSTEM ASTRAZENECA AB (SE) 2026-02-05 US disclosed
US-20240361326-A1 EXOSOMAL LIPIDS AND METABOLITES FOR THE EARLY DETECTION OF HEPATOCELLULAR CARCINOMA BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-31 US disclosed
US-20240269101-A1 COMPOSITIONS COMPRISING MEDIUM ODD CHAIN LIPIDS WITH MULTIFUNCTIONAL ACTIVITY TO PREVENT AND TREAT SKIN INFLAMMATION AND AGING EXCELLA BIOSCIENTIFIC LTD (IL) 2024-08-15 US disclosed
WO-2024117176-A1 FOOD AND DRINK COMPOSITION 花王株式会社 2024-06-06 WO disclosed
EP-4373526-A1 COMPOSITIONS AND USES OF TRIGLYCERIDE MIMETICS TO TARGET SELECTIVELY MICROBIAL LIPASE Excella Bioscientific Ltd (IL) 2024-05-29 EP disclosed
US-11840489-B2 Symbiosis-promoting agent and method for promoting symbiosis of arbuscular mycorrhizal fungi TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2023-12-12 US disclosed
CN-116559308-A System for non-invasive assessment of neonatal intrauterine nutritional status and use thereof 国家卫生健康委科学技术研究所 2023-08-08 CN disclosed
WO-2023048071-A1 EXPRESSION PROMOTING AGENT AND FUNCTIONAL FOOD FOR MENTAL HEALTH PROMOTION 国立大学法人九州大学 2023-03-30 WO disclosed
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2013070962-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-16 WO disclosed
US-7704957-B2 Composition for inhibiting HIV activity extracted from Paecilomyces sp. (Tochu-kaso) J300 RURAL DEVELOPMENT ADMINISTRATION (KR) 2010-04-27 US disclosed
US-20040121963-A1 Composition for inhibiting hiv activity extracted from paecilomyces sp. (tochu-kaso) j300 RURAL DEVELOPMENT ADMINISTRATION (KR) 2004-06-24 US disclosed
EP-1389111-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM i PAECILOMYCES SP. /i (TOCHU-KASO) J300 Republic of Korea (KR) 2004-02-18 EP disclosed
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
WO-2002080921-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM PAECILOMYCES SP. (TOCHU-KASO) J300 REPUBLIC OF KOREA (KR) 2002-10-17 WO disclosed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 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 (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-20040121963-A1 Composition for inhibiting hiv activity extracted from paecilomyces sp. (tochu-kaso) j300 KMO, JMJD1C, KYAT3 DPP4 1684/4885DPP8 3181/4885DPP9 505/4885
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20240269101-A1 COMPOSITIONS COMPRISING MEDIUM ODD CHAIN LIPIDS WITH MULTIFUNCTIONAL ACTIVITY TO PREVENT AND TREAT SKIN INFLAMMATION AND AGING DGAT2, DAGLA, DGAT1 DPP4 1459/4885DPP8 1304/4885DPP9 1183/4885
US-20260036547-A1 METHODS FOR DETECTING METABOLITES USING A MICROFLUIDIC-BASED CE-MS SYSTEM ATP5ME, ATP5MF, ATP5MK DPP4 1548/4885DPP8 2179/4885DPP9 1372/4885

“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.