Sugi Predict

Sugi Predict / Compounds / SCHEMBL5686608

SCHEMBL5686608

SCHEMBL5686608

COc1cc(/C=C/c2cc(O)c3ccsc3c2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 13/20 0.72
▸ TUBB4A P04350 11/20 0.72
▸ TUBB P07437 11/20 0.72
▸ TUBA3C P0DPH7 11/20 0.72
▸ TUBA1B P68363 11/20 0.72
▸ TUBA4A P68366 11/20 0.72
▸ TUBB4B P68371 11/20 0.72
▸ TUBB3 Q13509 11/20 0.72
▸ TUBB2A Q13885 11/20 0.72
▸ TUBB8 Q3ZCM7 11/20 0.72
▸ TUBA3E Q6PEY2 11/20 0.72
▸ TUBA1A Q71U36 11/20 0.72
▸ TUBA1C Q9BQE3 11/20 0.72
▸ TUBB6 Q9BUF5 11/20 0.72
▸ TUBB2B Q9BVA1 11/20 0.72
▸ SLC22A2 O15244 1/20 0.58
▸ SLCO2B1 O94956 1/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58

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
SCHEMBL5686624 1.00 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5686615 1.00 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL38654906 1.00 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5687379 0.99 TUBB1 (0.70) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5687768 0.88 TUBB1 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5687761 0.88 TUBB1 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5689307 0.88 TUBB1 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5686546 0.83 ALOX5 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5686540 0.83 ALOX5 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5686554 0.83 ALOX5 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
US-20060160773-A1 Combretastatin derivatives with cytotoxic action SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-20 — — US claimed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 — — EP claimed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 — — WO claimed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 — — EP disclosed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 — — 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 (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-20060160773-A1 Combretastatin derivatives with cytotoxic action TUBB, TUBB1, TYMS TUBB1 2/4885TUBB4A 6/4885TUBB 1/4885

“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.