SCHEMBL19604294

SCHEMBL19604294

CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(C[C@H](N)C[C@H](C)C(=O)O)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.41
▸ KISS1R Q969F8 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ NPY4R P50391 5/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL19466325 0.88 FURIN (0.42) FURINKISS1RNPY4RNPY1RNPY2R
SCHEMBL19466303 0.88 FURIN (0.42) FURINKISS1RNPY4RNPY1RNPY2R
SCHEMBL23425369 0.86 MMP3 (0.39) FURINKISS1RMMP3NPY4RNPY1R
SCHEMBL16847753 0.85 FURIN (0.43) FURINSMN1; SMN2HTTMEN1KMT2A
SCHEMBL22064590 0.85 FURIN (0.51) FURINSMN1; SMN2HTTMEN1KMT2A
SCHEMBL23425378 0.84 FURIN (0.39) FURINMMP3NPY4RNPY1RNPY2R
SCHEMBL15947589 0.83 FAP (0.50) FURINKISS1RNPY4RNPY1RNPY2R
SCHEMBL26431147 0.83 HTT (0.46) FURINSMN1; SMN2HTT
SCHEMBL23344152 0.82 FURIN (0.50) FURINSMN1; SMN2HTT
SCHEMBL22266602 0.82 ALB (0.43) FURINSMN1; 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-20170326249-A1 ANTIBODY-DRUG CONJUGATE OF AN ANTI-GLYPICAN-3 ANTIBODY AND A TUBULYSIN ANALOG, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-11-16 — — 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-20170326249-A1 ANTIBODY-DRUG CONJUGATE OF AN ANTI-GLYPICAN-3 ANTIBODY AND A TUBULYSIN ANALOG, PREPARATION AND USES SERPINA3, B3GAT3, ST3GAL3 FURIN 2565/4885KISS1R 3127/4885MMP3 98/4885

“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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