SCHEMBL5857310

SCHEMBL5857310

CC(C)(C)OC(=O)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PFKFB1 P16118 4/20 0.52
NSD2 O96028 4/20 0.52
AS3MT Q9HBK9 4/20 0.52
PFKFB2 O60825 3/20 0.52
PFKFB3 Q16875 3/20 0.52
MDM2 Q00987 1/20 0.39
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
PTPN1 P18031 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
SCHEMBL5859792 0.80 PFKFB1 (0.69) PFKFB1NSD2AS3MTPFKFB2PFKFB3
SCHEMBL5857191 0.71 PFKFB1 (0.78) PFKFB1NSD2AS3MTPFKFB2PFKFB3
SCHEMBL29669186 0.71 MDM4 (0.56) MDM2MDM4TP53
SCHEMBL5857153 0.71 PFKFB1 (1.00) PFKFB1NSD2AS3MTPFKFB2PFKFB3
SCHEMBL21175067 0.67 MDM2 (0.52) MDM2MDM4TP53BACE1PTPN1
SCHEMBL21175068 0.67 MDM2 (0.52) MDM2MDM4TP53BACE1PTPN1
SCHEMBL17805688 0.67 MDM2 (0.51) MDM2MDM4TP53
SCHEMBL4547179 0.67 MDM2 (0.48) MDM2MDM4TP53BACE1
SCHEMBL29360836 0.66 MDM2 (0.49) MDM2MDM4TP53BACE1PTPN1
SCHEMBL18211250 0.66 MDM2 (0.48) MDM2MDM4TP53BACE1

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-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA PFKFB1 3485/4885NSD2 969/4885AS3MT 2271/4885

“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.