SCHEMBL2543576

SCHEMBL2543576

CC(C)[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
DPP4 P27487 6/20 0.34
PRCP P42785 1/20 0.34
DPP7 Q9UHL4 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN4A P35499 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
GLI1 P08151 1/20 0.33
TLR2 O60603 1/20 0.32
ELANE P08246 1/20 0.32
FAP Q12884 2/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL28994810 1.00 NOS2 (0.38) NOS2NOS3NOS1DPP4PRCP
SCHEMBL3236621 0.91 NOS2 (0.36) NOS2NOS3NOS1DPP4PRCP
SCHEMBL15210886 0.89 NOS2 (0.39) NOS2NOS3NOS1DPP4PRCP
SCHEMBL499450 0.89 NOS2 (0.39) NOS2NOS3NOS1DPP4PRCP
SCHEMBL27646576 0.89 NOS2 (0.39) NOS2NOS3NOS1DPP4PRCP
SCHEMBL1537462 0.87 DPP4 (0.39) NOS2NOS3NOS1DPP4PRCP
SCHEMBL1537324 0.87 DPP4 (0.39) NOS2NOS3NOS1DPP4PRCP
SCHEMBL9592134 0.85 NOS2 (0.37) NOS2NOS3NOS1DPP4PRCP
SCHEMBL28695544 0.83 NOS2 (0.36) NOS2NOS3NOS1DPP4PRCP
Hydrochloric Acid SCHEMBL6026726 0.83 NOS2 (0.36) NOS2NOS3NOS1DPP4PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018002173-A1 METHOD OF DETECTING COPD BY MASS SPECTROMETRY ETH ZURICH (CH) 2018-01-04 WO claimed
US-9353357-B2 Polypeptides having phytase activity and the encoding nucleic acids AB ENZYMES GMBH (DE) 2016-05-31 US claimed
CN-102245208-B immunoglobulin variants and uses thereof HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN claimed
WO-2014160360-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC. (US) 2014-10-02 WO claimed
US-20140242249-A1 POLYPEPTIDE HAVING PHYTASE ACTIVITY AND INCREASED TEMPERATURE RESISTANCE OF THE ENZYME ACTIVITY, AND NUCLEOTIDE SEQUENCE CODING SAID POLYPEPTIDE AB ENZYMES GMBH (DE) 2014-08-28 US claimed
US-20110262619-A1 POLYPEPTIDE HAVING PHYTASE ACTIVITY AND INCREASED TEMPERATURE RESISTANCE OF THE ENZYME ACTIVITY, AND NUCLEOTIDE SEQUENCE CODING SAID POLYPEPTIDE AB ENZYMES GMBH (DE) 2011-10-27 US claimed
US-20080190894-A1 Chemical Mechanical Polishing Slurries, Their Applications and Method of Use Thereof ANJI MICROELECTRONICS (SHANGHAI) CO., LTD. (CN) 2008-08-14 US claimed
EP-0118280-B1 ENZYME INHIBITION Aktiebolaget Hässle (SE) 1989-07-12 EP claimed
WO-1984003507-A1 ENZYME INHIBITION FERRING AB (SE) 1984-09-13 WO claimed
EP-0118280-A1 Enzyme inhibition Aktiebolaget Hässle (SE) 1984-09-12 EP claimed
WO-2023219502-A1 IMMUNOTHERAPEUTIC COMPOSITIONS AND ADJUVANTS UNIVERSITEIT LEIDEN (NL) 2023-11-16 WO disclosed
EP-3704466-B1 ANALYTE DETECTION METHOD UNIV LELAND STANFORD JUNIOR (US) 2023-10-11 EP disclosed
US-20230241229-A1 A SAPOGENIN POLYETHYLENE GLYCOL ESTER COMPLEX OF FORMULA-I, A COMPOSITION, PROCESS OF PREPARATION, AND APPLICATIONS THEREOF PHYTOSOL INDIA PRIVATE LIMITED (IN) 2023-08-03 US disclosed
CN-116036076-A Application of lithium amino acid in preparation of medicine for treating manic mental diseases 安域生物科技(杭州)有限公司 2023-05-02 CN disclosed
CN-115813913-A Application of proline or isobutyric acid in preparation of auxiliary drugs of central nervous excitation drugs 安域生物科技(杭州)有限公司 2023-03-21 CN disclosed
US-4638047-A Enzyme inhibition AKTIEBOLAGET HASSLE (SE) 1987-01-20 US disclosed
WO-1984003507-A1 ENZYME INHIBITION FERRING AB (SE) 1984-09-13 WO disclosed
WO-1984003507-A1 ENZYME INHIBITION FERRING AB (SE) 1984-09-13 WO disclosed
EP-0118280-A1 Enzyme inhibition Aktiebolaget Hässle (SE) 1984-09-12 EP disclosed
EP-0118280-A1 Enzyme inhibition Aktiebolaget Hässle (SE) 1984-09-12 EP 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 (1 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-20230241229-A1 A SAPOGENIN POLYETHYLENE GLYCOL ESTER COMPLEX OF FORMULA-I, A COMPOSITION, PROCESS OF PREPARATION, AND APPLICATIONS THEREOF PSAP, CYP17A1, SAP18 NOS2 1547/4885NOS3 1789/4885NOS1 1077/4885

“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.