SCHEMBL29439348

SCHEMBL29439348

CC(C)[C@@H](CBr)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2D6 P10635 1/20 0.31
MMP13 P45452 1/20 0.31
ASGR1 P07306 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
SCHEMBL18055001 0.88 AAK1 (0.35) AAK1CA1CA2CA7HDAC6
SCHEMBL5567390 0.84 CA1 (0.35) AAK1CA1CA2CA7HDAC6
SCHEMBL5567395 0.84 CA1 (0.35) AAK1CA1CA2CA7HDAC6
SCHEMBL17157171 0.81 CYP2D6 (0.33) AAK1CA1CA2CA7HDAC6
SCHEMBL17157167 0.81 CYP2D6 (0.33) AAK1CA1CA2CA7HDAC6
SCHEMBL18055171 0.81 HDAC6 (0.35) AAK1CA1CA2CA7HDAC6
SCHEMBL18038885 0.79 AAK1 (0.34) AAK1CA1CA2CA7HDAC6
SCHEMBL13489755 0.79 AAK1 (0.34) AAK1CA1CA2CA7HDAC6
SCHEMBL23346611 0.77 CA1 (0.34) AAK1CA1CA2CA7CYP2D6
SCHEMBL22086927 0.77 CYP2D6 (0.34) AAK1CA1CA2CA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274124-B2 Tubulysin analogues as anticancer agents and payloads for antibody-drug conjugates and methods of treatment therewith WILLIAM MARSH RICE UNIVERSITY (US) 2022-03-15 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-11274124-B2 Tubulysin analogues as anticancer agents and payloads for antibody-drug conjugates and methods of treatment therewith TEK, CD2BP2, SDCBP AAK1 4475/4885CA1 3161/4885CA2 2563/4885

“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.