SCHEMBL16446348

SCHEMBL16446348

CC(O)C#CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSK P43235 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 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
SCHEMBL25591744 1.00 MAPK1 (0.33) MAPK1CYP2D6CA1CA2CA7
SCHEMBL27014877 0.81 DGAT1 (0.30) DGAT1CTSK
SCHEMBL1414348 0.78 DGAT1 (0.40) CA1CA2CA7DGAT1CTSK
SCHEMBL29154679 0.77
SCHEMBL25591746 0.76 TSHR (0.37)
SCHEMBL18133563 0.75
SCHEMBL16885807 0.74 DGAT1 (0.37) DGAT1CTSKMEN1GAAKMT2A
SCHEMBL6692485 0.74 LMNA (0.33) KMT2A
SCHEMBL27014763 0.74
SCHEMBL1088416 0.72 CTSK (0.38) DGAT1CTSK

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-3684773-B1 THAILANSTATIN ANALOGS PH PHARMA CO LTD (KR) 2026-04-29 EP disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 US disclosed
WO-2015021226-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-12 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-11691982-B2 Thailanstatin analogs CD47, SUGT1, TPT1 MAPK1 2643/4885CYP2D6 4403/4885CA1 4251/4885
US-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF VAT1, NQO1, VARS1 MAPK1 3318/4885CYP2D6 1230/4885CA1 4713/4885

“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.