SCHEMBL13489755

SCHEMBL13489755

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nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.34
CTSK P43235 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MMP13 P45452 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
SCHEMBL18038885 1.00 AAK1 (0.34) AAK1CTSKHDAC6CA1CA2
SCHEMBL74866 0.83 AAK1 (0.36) AAK1CTSKHDAC6CA1CA2
SCHEMBL31236399 0.81 CTSK (0.35) AAK1CTSKHDAC6HDAC1HDAC2
SCHEMBL5567395 0.81 CA1 (0.35) AAK1CTSKHDAC6CA1CA2
SCHEMBL5567390 0.81 CA1 (0.35) AAK1CTSKHDAC6CA1CA2
SCHEMBL29439348 0.79 AAK1 (0.36) AAK1HDAC6CA1CA2CA7
SCHEMBL17157171 0.78 CYP2D6 (0.33) AAK1CTSKHDAC6CA1CA2
SCHEMBL18055001 0.78 AAK1 (0.35) AAK1HDAC6CA1CA2CA7
SCHEMBL18055171 0.78 HDAC6 (0.35) AAK1HDAC6CA1CA2CA7
SCHEMBL17157167 0.78 CYP2D6 (0.33) AAK1CTSKHDAC6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 US disclosed
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
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 US disclosed
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 US disclosed
WO-2008106080-A9 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 WO disclosed
WO-2008106080-A2 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-09-04 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 (4 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 AAK1 2782/4885CTSK 759/4885HDAC6 966/4885
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP AAK1 4475/4885CTSK 900/4885HDAC6 360/4885
US-10808007-B2 Desacetoxytubulysin H and analogs thereof REN, MAN2B2, UTS2R AAK1 2782/4885CTSK 759/4885HDAC6 966/4885
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 AAK1 2623/4885CTSK 2560/4885HDAC6 817/4885

“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.