SCHEMBL18055375

SCHEMBL18055375

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nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA7 P43166 2/20 0.63
CTSK P43235 12/20 0.57
CTSS P25774 12/20 0.57
CTSL P07711 4/20 0.51
CTSB P07858 3/20 0.51
CYP2D6 P10635 1/20 0.45
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL21085559 1.00 CA1 (0.63) CA1CA2CA7CTSKCTSS
SCHEMBL2506424 0.84 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL4118840 0.83 CTSK (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL86153 0.83 CTSK (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL86185 0.83 CTSK (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL1370051 0.81 CTSK (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL1414602 0.79 CA1 (0.71) CA1CA2CA7CTSKCTSS
SCHEMBL1809665 0.79 CA1 (0.71) CA1CA2CA7CTSKCTSS
SCHEMBL1134642 0.79 CA1 (0.71) CA1CA2CA7CTSKCTSS
SCHEMBL38665117 0.79 CA1 (0.71) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261443-B1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIV RICE WILLIAM M (US) 2021-04-28 EP disclosed
US-10808007-B2 Desacetoxytubulysin H and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-10-20 US disclosed
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 US disclosed
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 US disclosed
WO-2016138288-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2016-09-01 WO 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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R CA1 4446/4885CA2 3753/4885CA7 3276/4885
US-10808007-B2 Desacetoxytubulysin H and analogs thereof REN, MAN2B2, UTS2R CA1 4446/4885CA2 3753/4885CA7 3276/4885

“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.