SCHEMBL22432743

SCHEMBL22432743

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CCl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.40
▸ FURIN P09958 4/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT1 Q96EB6 2/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ NPY4R P50391 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRND Q07001 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
SCHEMBL29071197 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL24476140 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL29071195 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL21570074 0.94 FAP (0.39) FAPFURINMAP1LC3BHTTSIRT2
SCHEMBL22138625 0.94 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL23943282 0.94 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL24224636 0.94 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL21883412 0.94 FURIN (0.42) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL24916473 0.94 FURIN (0.42) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL25450085 0.94 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2

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-20220143204-A1 INTERNALIZING BINDING MOLECULES TARGETING RECEPTORS INVOLVED IN CELL PROLIFERATION OR IN CELL DIFFERENTIATION LINXIS B.V. (NL) 2022-05-12 — — US disclosed
WO-2020185069-A1 INTERNALIZING BINDING MOLECULES TARGETING RECEPTORS INVOLVED IN CELL PROLIFERATION OR CELL DIFFERENTIATION LINXIS B.V. (NL) 2020-09-17 — — 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 (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-20220143204-A1 INTERNALIZING BINDING MOLECULES TARGETING RECEPTORS INVOLVED IN CELL PROLIFERATION OR IN CELL DIFFERENTIATION HAVCR2, CD74, BST2 FAP 680/4885FURIN 2013/4885MAP1LC3B 1472/4885

“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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