SCHEMBL6517571

SCHEMBL6517571

COc1cc(C(=O)C(O)[C@H]2O[C@@](F)(n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 14/20 0.32
TUBB4A P04350 13/20 0.32
TUBB P07437 13/20 0.32
TUBA3C P0DPH7 13/20 0.32
TUBA1B P68363 13/20 0.32
TUBA4A P68366 13/20 0.32
TUBB4B P68371 13/20 0.32
TUBB3 Q13509 13/20 0.32
TUBB2A Q13885 13/20 0.32
TUBB8 Q3ZCM7 13/20 0.32
TUBA3E Q6PEY2 13/20 0.32
TUBA1A Q71U36 13/20 0.32
TUBA1C Q9BQE3 13/20 0.32
TUBB6 Q9BUF5 13/20 0.32
TUBB2B Q9BVA1 13/20 0.32
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL6520485 0.83 TYMP (0.32) P2RY6
SCHEMBL6521224 0.79 P2RY6 (0.30) P2RY6
SCHEMBL30388452 0.72 DUT (0.32) P2RY6
SCHEMBL6752234 0.72 ALDH1A1 (0.35) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6530739 0.71 SLC28A1 (0.35) ALDH1A1P2RY6
SCHEMBL10656146 0.70 P2RY6 (0.33) P2RY6
SCHEMBL346518 0.70 CRBN (0.37) P2RY6
SCHEMBL28431313 0.68 SLC28A1 (0.35) P2RY6
SCHEMBL29291814 0.66 P2RY6 (0.37) P2RY6
SCHEMBL98410 0.66 SLC28A1 (0.49) P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 US disclosed
EP-0746336-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1996-12-11 EP disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP TUBB1 4366/4885TUBB4A 4389/4885TUBB 4557/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP TUBB1 4366/4885TUBB4A 4389/4885TUBB 4557/4885

“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.