SCHEMBL909486

SCHEMBL909486

CCOC(=O)c1csc([C@H](O)CC(=N[S@@+]([O-])C(C)(C)C)C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
RAB9A P51151 7/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 3/20 0.39
PTPRB P23467 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 2/20 0.35
OGA O60502 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL20586403 1.00 ABCB1 (0.44) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL22045464 1.00 ABCB1 (0.44) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL12902792 1.00 ABCB1 (0.44) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL20529469 1.00 ABCB1 (0.44) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL22045465 1.00 ABCB1 (0.44) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL22852593 0.92 ABCB1 (0.43) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL17728802 0.90 ABCB1 (0.35) ABCB1PTPRBMAOA
SCHEMBL17728801 0.90 ABCB1 (0.35) ABCB1PTPRBMAOA
SCHEMBL17728803 0.90 ABCB1 (0.35) ABCB1PTPRBMAOA
SCHEMBL31232627 0.90 ABCB1 (0.35) ABCB1PTPRBMAOA

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-20110021568-A1 TUBULYSIN D ANALOGUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021568-A1 TUBULYSIN D ANALOGUES TEK, NGLY1, TEKT1 ABCB1 2393/4885RAB9A 3085/4885MAPT 4220/4885

“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.