SCHEMBL20793391

SCHEMBL20793391

CN[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.55
▸ KISS1R Q969F8 6/20 0.52
▸ ACE P12821 2/20 0.51
▸ GHSR Q92847 1/20 0.51
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL22198557 0.97 ECE1 (0.54) ECE1KISS1RACEGHSRALOX15
SCHEMBL21915908 0.97 ECE1 (0.54) ECE1KISS1RACEGHSRALOX15
SCHEMBL20793358 0.97 ECE1 (0.54) ECE1KISS1RACEGHSRALOX15
SCHEMBL22799935 0.91 ECE1 (0.54) ECE1KISS1RACEGHSR
SCHEMBL20385815 0.90 ECE1 (0.53) ECE1KISS1RACEGHSR
SCHEMBL20385916 0.90 ECE1 (0.53) ECE1KISS1RACEGHSR
SCHEMBL20385839 0.90 ECE1 (0.53) ECE1KISS1RACEGHSR
SCHEMBL20385886 0.90 ECE1 (0.53) ECE1KISS1RACEGHSR
SCHEMBL21915900 0.90 ECE1 (0.55) ECE1KISS1RACEGHSR
SCHEMBL22198554 0.90 KISS1R (0.54) ECE1KISS1RACEGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306524-A2 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS PureTech LYT, Inc. (US) 2024-01-17 — — EP disclosed
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF PURETECH LYT, INC. (US) 2022-05-12 — — US disclosed
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2022-04-28 — — US disclosed
WO-2021159021-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2021-08-12 — — WO disclosed
WO-2021051172-A1 LIPID PRODRUGS OF CELECOXIB AND USES THEREOF MONASH UNIVERSITY (AU) 2021-03-25 — — WO disclosed
WO-2020028787-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech Health LLC (US) 2020-02-06 — — WO disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — 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-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ECE1 3180/4885KISS1R 2302/4885ACE 2083/4885
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA ECE1 3456/4885KISS1R 3572/4885ACE 906/4885

“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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