SCHEMBL24919449

SCHEMBL24919449

CNC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.61
EIF4EBP1 Q13541 2/20 0.61
ACE2 Q9BYF1 1/20 0.54
ESR1 P03372 6/20 0.51
ESR2 Q92731 3/20 0.51
KRAS P01116 6/20 0.45
MDM2 Q00987 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
PRKAR2A P13861 1/20 0.44
PRKAR2B P31323 1/20 0.44

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
SCHEMBL26420961 0.94 EIF4E (0.61) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL20694359 0.92 EIF4E (0.56) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL24919277 0.81 ESR1 (0.53) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL22802819 0.76 ESR1 (0.51) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL20694604 0.70 ESR1 (0.52) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL24473539 0.67 NTSR2 (0.61) EIF4EEIF4EBP1ACE2ESR1ESR2
SCHEMBL24473602 0.67 NTSR2 (0.71) EIF4EEIF4EBP1PRKAR2APRKAR2B
SCHEMBL24473663 0.66 NTSR2 (0.61) EIF4EEIF4EBP1ACE2PRKAR2APRKAR2B
SCHEMBL20694606 0.66 ESR1 (0.51) ACE2ESR1ESR2KRASNFE2L2
SCHEMBL24473339 0.65 NTSR2 (0.73) EIF4EEIF4EBP1PRKAR2APRKAR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2023-01-26 US 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-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 EIF4E 4800/4885EIF4EBP1 4112/4885ACE2 2123/4885
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM EIF4E 684/4885EIF4EBP1 883/4885ACE2 2/4885

“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.