SCHEMBL19508510

SCHEMBL19508510

CC(C)[C@H](NC(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.39
▸ PDF Q9HBH1 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NMT2 O60551 4/20 0.34
▸ NMT1 P30419 4/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL17661798 0.86 FURIN (0.42) FURINPDFITGB1ITGA4KLKB1
SCHEMBL16645085 0.82 FURIN (0.45) FURINPDFKLKB1SMN1; SMN2NMT2
SCHEMBL16274147 0.82 FAP (0.38) FURINPDFKLKB1NMT2NMT1
SCHEMBL15686242 0.80 NMT2 (0.45) FURINPDFKLKB1NMT2NMT1
SCHEMBL17860166 0.80 FURIN (0.38) FURINPDFKLKB1SMN1; SMN2HTT
SCHEMBL19776894 0.80 FURIN (0.38) FURINPDFKLKB1SMN1; SMN2HTT
SCHEMBL26423089 0.79 NMT2 (0.40) FURINPDFKLKB1NMT2NMT1
Bicarbonate SCHEMBL30831304 0.78 PDF (0.41) FURINPDFITGB1ITGA4SMN1; SMN2
SCHEMBL24864487 0.76 KLKB1 (0.44) FURINPDFITGB1KLKB1NMT2
SCHEMBL20332469 0.76 CA2 (0.45) FURINHDAC3HDAC4HDAC1HDAC7

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-20170304460-A1 METHOD OF CONJUGATING A POLYPEPTIDE MEDIMMUNE, LLC 2017-10-26 — — 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-20170304460-A1 METHOD OF CONJUGATING A POLYPEPTIDE SHBG, PTMS, VIP FURIN 78/4885PDF 238/4885ITGB1 1725/4885

“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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