SCHEMBL25826711

SCHEMBL25826711

CC(C)CCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)C(C)(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
FAAH O00519 2/20 0.38
DEGS1 O15121 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CETP P11597 1/20 0.35

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
SCHEMBL19776047 0.94 CASP1 (0.39) CASP1
SCHEMBL18272885 0.83 CASP1 (0.41) CASP1FAAHMEN1MAPK1KMT2A
SCHEMBL27111229 0.83 FAAH (0.45) CASP1NMT2NMT1FAAHMEN1
SCHEMBL20349710 0.83 CASP1 (0.41) CASP1FAAHMEN1MAPK1KMT2A
SCHEMBL20340683 0.81 EPHX2 (0.39) CASP1FAAH
SCHEMBL24992769 0.80
SCHEMBL18596603 0.78 PTGS1 (0.43) CASP1FAAHMAPK1KMT2A
SCHEMBL22267884 0.78 PTGS1 (0.43) CASP1FAAHMAPK1KMT2A
SCHEMBL18596600 0.78 PTGS1 (0.43) CASP1FAAHMAPK1KMT2A
SCHEMBL21579982 0.78 PSENEN (0.39) CASP1

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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS CASP1 4384/4885NMT2 152/4885NMT1 337/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CASP1 4384/4885NMT2 152/4885NMT1 337/4885

“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.