SCHEMBL17739739

SCHEMBL17739739

CCCN(C(=O)C[C@@H](C)CC)[C@H](C[C@@H](OC(=O)NC)c1nc(C(=O)O)cs1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 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
SCHEMBL25829813 0.84 PLA2G4A (0.36)
SCHEMBL24140371 0.84 PLA2G4A (0.38) ABCB1
SCHEMBL17728724 0.81
SCHEMBL17739852 0.81 CTSK (0.34) ABCB1
SCHEMBL15033314 0.79 PLA2G4A (0.31) ABCB1
SCHEMBL23551975 0.79 PLA2G4A (0.31) ABCB1
SCHEMBL24872391 0.79 PLA2G4A (0.31) ABCB1
SCHEMBL25825751 0.78 ABCB1 (0.32) ABCB1
SCHEMBL18542105 0.77 PLA2G4A (0.33)
SCHEMBL19293115 0.76 PLA2G4A (0.32) ABCB1

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-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 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-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE CCNY, CDC45, TPX2 ABCB1 2491/4885

“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.