SCHEMBL3728812

SCHEMBL3728812

O=C(N[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.54
TP53 P04637 3/20 0.54
MDM2 Q00987 6/20 0.49
CASP3 P42574 2/20 0.47
TLR2 O60603 2/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL3728815 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3TLR2
SCHEMBL7316241 0.97 MDM4 (0.54) MDM4TP53MDM2CASP3TLR2
SCHEMBL29397723 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL29400850 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL3732469 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL30905336 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL2304824 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL800116 0.94 MDM4 (0.59) MDM4TP53MDM2CASP3MME
SCHEMBL31080757 0.92 MDM4 (0.52) MDM4TP53MDM2CASP3TLR2
SCHEMBL31688826 0.92 MDM4 (0.52) MDM4TP53MDM2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US 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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM4 1060/4885TP53 573/4885MDM2 1236/4885

“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.