SCHEMBL17728801

SCHEMBL17728801

COC(=O)c1csc([C@H](O)C/C(=N\[S+]([O-])C(C)(C)C)C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.35
HRH3 Q9Y5N1 1/20 0.33
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
PTPRB P23467 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL28627303 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL28627304 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL17728802 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL12880125 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL31232627 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL17739798 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL17728803 1.00 ABCB1 (0.35) ABCB1HRH3MAOAACHEPTPRB
SCHEMBL22045464 0.90 ABCB1 (0.44) ABCB1MAOAPTPRB
SCHEMBL20586403 0.90 ABCB1 (0.44) ABCB1MAOAPTPRB
SCHEMBL20529469 0.90 ABCB1 (0.44) ABCB1MAOAPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218391-B1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2019-01-09 EP disclosed
US-10077287-B2 Tubulysin analogs and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-18 US disclosed
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 (2 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 2491/4885HRH3 280/4885MAOA 4506/4885
US-10077287-B2 Tubulysin analogs and methods of making and use CCNY, CDC45, TPX2 ABCB1 2491/4885HRH3 280/4885MAOA 4506/4885

“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.