SCHEMBL3096341

SCHEMBL3096341

CC(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CTSK P43235 8/20 0.46
CTSS P25774 7/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
IDO1 P14902 1/20 0.43
ACE P12821 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
PPARD Q03181 2/20 0.41

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
SCHEMBL25196900 1.00 CYP2D6 (0.47) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL18220951 0.91 CYP2D6 (0.47) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL25203081 0.87 CYP2D6 (0.42) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL25266050 0.87 CYP2D6 (0.42) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL343679 0.87 CYP2D6 (0.55) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL343678 0.87 CYP2D6 (0.55) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL3682214 0.87 CYP2D6 (0.55) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL1966650 0.86 CYP2D6 (0.46) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL2018992 0.85 CTSK (0.48) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL344762 0.85 CTSK (0.48) CYP2D6CTSKCTSSCTSLCTSB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis SHENZHEN JINGTAI TECHNOLOGY CO., LTD. (CN) 2025-01-23 US disclosed
CN-118234705-A Aspartic acid derivative and application thereof in treatment of liver fibrosis, nonalcoholic hepatitis and other metabolic diseases 深圳利沃生物医药科技有限公司 2024-06-21 CN disclosed
WO-2023083291-A1 DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS 深圳利沃生物医药科技有限公司 2023-05-19 WO disclosed
CN-101903386-B Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent LG LIFE SCIENCES LTD 2015-04-22 CN disclosed
US-8470836-B2 Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent LG LIFE SCIENCES, LTD. (KR) 2013-06-25 US disclosed
US-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2010-10-28 US disclosed
EP-2220086-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082134-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2009-07-02 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-20100274013-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT DPP4, DPP7, DPP9 CYP2D6 1039/4885CTSK 446/4885CTSS 553/4885
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis GOT1, GOT2, GLS2 CYP2D6 477/4885CTSK 1138/4885CTSS 958/4885

“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.