Sugi Predict

Sugi Predict / Compounds / SCHEMBL5686880

SCHEMBL5686880

SCHEMBL5686880

COc1cc(/C=C/c2ccc([N+](=O)[O-])o2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.60
▸ TUBB4A P04350 6/20 0.58
▸ TUBB P07437 6/20 0.58
▸ TUBA3C P0DPH7 6/20 0.58
▸ TUBA1B P68363 6/20 0.58
▸ TUBA4A P68366 6/20 0.58
▸ TUBB4B P68371 6/20 0.58
▸ TUBB3 Q13509 6/20 0.58
▸ TUBB2A Q13885 6/20 0.58
▸ TUBB8 Q3ZCM7 6/20 0.58
▸ TUBA3E Q6PEY2 6/20 0.58
▸ TUBA1A Q71U36 6/20 0.58
▸ TUBA1C Q9BQE3 6/20 0.58
▸ TUBB6 Q9BUF5 6/20 0.58
▸ TUBB2B Q9BVA1 6/20 0.58
▸ TUBB1 Q9H4B7 6/20 0.58
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ KRAS P01116 1/20 0.49

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
SCHEMBL5686884 1.00 PTGS2 (0.60) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6309969 0.76 PTGS2 (1.00) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4258992 0.76 PTGS2 (1.00) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4258994 0.76 PTGS2 (1.00) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17527242 0.75 TUBB4A (0.78) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14175314 0.75 TUBB4A (0.78) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7499124 0.74 TUBB1 (0.81) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7496691 0.74 TUBB1 (0.81) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17975321 0.74 NPC1 (0.59) NPC1RAB9AATMTDP1HSP90AA1
SCHEMBL4967209 0.73 TUBB1 (1.00) PTGS2TUBB4ATUBBTUBA3CTUBA1B

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 PTGS2 3691/4885TUBB4A 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.

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