SCHEMBL6599280

SCHEMBL6599280

CC[Si](CC)(CC)O[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.36
TPSD1 Q9BZJ3 4/20 0.36
TPSG1 Q9NRR2 4/20 0.36
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
NR1H2 P55055 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
PREP P48147 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
LIPE Q05469 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL6599274 1.00 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGDEPHX1
SCHEMBL6599271 1.00 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGDEPHX1
SCHEMBL6601054 0.99 HPGD (0.38) TPSAB1TPSD1TPSG1HPGDEPHX1
SCHEMBL6601058 0.99 HPGD (0.38) TPSAB1TPSD1TPSG1HPGDEPHX1
SCHEMBL6601061 0.99 HPGD (0.38) TPSAB1TPSD1TPSG1HPGDEPHX1
SCHEMBL6600507 0.98 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGDGPR119
SCHEMBL6600518 0.98 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGDGPR119
SCHEMBL6600512 0.98 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGDGPR119
SCHEMBL6601957 0.95 TPSAB1 (0.37) TPSAB1TPSD1TPSG1HPGDGPR119
SCHEMBL6601963 0.95 TPSAB1 (0.37) TPSAB1TPSD1TPSG1HPGDGPR119

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-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
EP-0667772-B9 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIV FLORIDA STATE (US) 2004-08-04 EP disclosed
US-20030187061-A1 Antitumor agnets; antileukemia agents FLORIDA STATE UNIVERSITY 2003-10-02 US disclosed
EP-0667772-B1 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIV FLORIDA STATE (US) 2003-05-14 EP disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-6521660-B2 Anticancer, antitumor agents FLORIDA STATE UNIVERSITY 2003-02-18 US disclosed
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY 2002-10-10 US disclosed
US-6335362-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR LEUKEMIA FLORIDA STATE UNIVERSITY 2002-01-01 US disclosed
US-6018073-A Tricyclic taxanes having an alkoxy, alkenoxy or aryloxy substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY (US) 2000-01-25 US disclosed
US-5739362-A ANTILEUKEMIA, ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-04-14 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 (3 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-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A TPSAB1 3848/4885TPSD1 3390/4885TPSG1 2333/4885
US-20030187061-A1 Antitumor agnets; antileukemia agents MCL1, TP53, EWSR1 TPSAB1 3330/4885TPSD1 3146/4885TPSG1 1951/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 TPSAB1 2941/4885TPSD1 2862/4885TPSG1 2815/4885

“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.