SCHEMBL15080494

SCHEMBL15080494

CC[C@H](C)C(N=[N+]=[N-])C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 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
SCHEMBL13618634 1.00 ABCB1 (0.32) ABCB1
SCHEMBL16247231 0.93 ABCB1 (0.32) ABCB1
SCHEMBL19455910 0.93 ABCB1 (0.32) ABCB1
SCHEMBL23416462 0.93 ABCB1 (0.32) ABCB1
SCHEMBL19660999 0.93 ABCB1 (0.32) ABCB1
SCHEMBL15080493 0.92
SCHEMBL15080485 0.92
SCHEMBL14765442 0.91 ABCB1 (0.32) ABCB1
SCHEMBL15080735 0.89 ABCB1 (0.30) ABCB1
SCHEMBL15604384 0.86 ABCB1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476451-B2 Tubulysin D analogues THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-20110263650-A1 Tubulysin D Analogues HELMHOLTZ-ZENTRUM FÜR INFEKTIONS-FORSCHUNG GMBH (DE) 2011-10-27 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-20110263650-A1 Tubulysin D Analogues NGLY1, TEKT1, TEK ABCB1 2787/4885

“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.