Sugi Predict

Sugi Predict / Compounds / SCHEMBL1994468

SCHEMBL1994468

SCHEMBL1994468

COc1ccc(C2C(c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.67
▸ TUBB P07437 2/20 0.67
▸ TUBA3C P0DPH7 2/20 0.67
▸ TUBA1B P68363 2/20 0.67
▸ TUBA4A P68366 2/20 0.67
▸ TUBB4B P68371 2/20 0.67
▸ TUBB3 Q13509 2/20 0.67
▸ TUBB2A Q13885 2/20 0.67
▸ TUBB8 Q3ZCM7 2/20 0.67
▸ TUBA3E Q6PEY2 2/20 0.67
▸ TUBA1A Q71U36 2/20 0.67
▸ TUBA1C Q9BQE3 2/20 0.67
▸ TUBB6 Q9BUF5 2/20 0.67
▸ TUBB2B Q9BVA1 2/20 0.67
▸ TUBB1 Q9H4B7 2/20 0.67
▸ CA1 P00915 7/20 0.64
▸ CA2 P00918 7/20 0.64
▸ CA4 P22748 7/20 0.64
▸ CA7 P43166 7/20 0.64
▸ ESR1 P03372 3/20 0.52

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
SCHEMBL1997647 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1997357 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1993684 0.83 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1992128 0.83 CA1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1998260 0.82 ESR1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2001150 0.80 ESR1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1994221 0.80 ESR1 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1997841 0.80 ESR1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2003440 0.78 ESR1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2002265 0.78 ESR1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2012-12-06 — — US disclosed
EP-2513051-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2012-10-24 — — EP disclosed
EP-2338877-A1 Combretastatin Derivatives and Uses Therefor The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-29 — — EP disclosed
WO-2011073211-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2011-06-23 — — 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-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR CASP4, CA4, ACSL4 TUBB4A 157/4885TUBB 699/4885TUBA3C 2062/4885

“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.