SCHEMBL25515378

SCHEMBL25515378

CC(CNC(=O)C(O)C(C)(C)CO)NC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ VNN1 O95497 13/20 0.42
▸ ACACB O00763 1/20 0.31

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
SCHEMBL22151099 0.89 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL22151097 0.89 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL22151100 0.89 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL22170810 0.85 PTGS1 (0.56) PTGS1KCNH2VNN1
SCHEMBL25759733 0.85 PTGS1 (0.56) PTGS1KCNH2VNN1
SCHEMBL7049047 0.80 PTGS1 (0.62) PTGS1KCNH2VNN1
SCHEMBL22197940 0.79 PTGS1 (0.57) PTGS1KCNH2VNN1
SCHEMBL24295732 0.79 PTGS1 (0.43) PTGS1KCNH2VNN1
SCHEMBL24295774 0.79 PTGS1 (0.43) PTGS1KCNH2VNN1
SCHEMBL24296115 0.79 VNN1 (0.51) PTGS1KCNH2VNN1

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-11834391-B2 Pantothenamide analogues MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-12-05 — — US disclosed
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-05-25 — — 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-11834391-B2 Pantothenamide analogues NAMPT, VKORC1, NME4 PTGS1 991/4885KCNH2 3921/4885VNN1 5/4885
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES NAMPT, VKORC1, NME4 PTGS1 991/4885KCNH2 3921/4885VNN1 5/4885

“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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