SCHEMBL27291531

SCHEMBL27291531

CCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.49
▸ PDF Q9HBH1 1/20 0.48
▸ KLKB1 P03952 1/20 0.46
▸ SSTR3 P32745 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL24101471 0.90 PDF (0.45) FURINPDFKLKB1SSTR3SPHK1
SCHEMBL27291534 0.88 FURIN (0.48) FURINPDFKLKB1SSTR3TP53
SCHEMBL27291530 0.86 FURIN (0.51) FURINPDFKLKB1SSTR3TP53
SCHEMBL27291528 0.86 FURIN (0.49) FURINSPHK1TP53SMN1; SMN2MEN1
SCHEMBL17424310 0.86 SPHK1 (0.51) PDFKLKB1SSTR3SPHK1PLG
SCHEMBL24393479 0.80 PDF (0.44) FURINPDFKLKB1SSTR3PLG
SCHEMBL21234897 0.80 FURIN (0.48) FURINPDFKLKB1SSTR3TP53
SCHEMBL15099992 0.80 SMN1; SMN2 (0.48) SPHK1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL24864487 0.79 KLKB1 (0.44) FURINPDFKLKB1SSTR3PLG
SCHEMBL21965275 0.79 FURIN (0.41) FURINSPHK1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-06-27 — — 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 (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-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 FURIN 34/4885PDF 297/4885KLKB1 2818/4885

“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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