SCHEMBL3725027

SCHEMBL3725027

O=C(N[C@H](Cc1cccc2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.53
TP53 P04637 3/20 0.53
SLC17A5 Q9NRA2 1/20 0.49
CASP3 P42574 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
TGM2 P21980 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MDM2 Q00987 4/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL29547912 1.00 MDM4 (0.53) MDM4TP53SLC17A5CASP3HRH4
SCHEMBL800112 1.00 MDM4 (0.53) MDM4TP53SLC17A5CASP3HRH4
SCHEMBL29397967 1.00 MDM4 (0.53) MDM4TP53SLC17A5CASP3HRH4
SCHEMBL29401862 1.00 MDM4 (0.53) MDM4TP53SLC17A5CASP3HRH4
SCHEMBL3725031 1.00 MDM4 (0.53) MDM4TP53SLC17A5CASP3HRH4
SCHEMBL13978398 0.91 MDM4 (0.47) MDM4TP53SLC17A5CASP3CTSS
SCHEMBL24915806 0.89 MDM4 (0.50) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL30229636 0.89 MDM4 (0.50) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL29221380 0.89 MDM4 (0.50) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL30229510 0.89 MDM4 (0.50) MDM4TP53SLC17A5CASP3MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
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
EP-1692099-A1 SOMATOSTATINE RECEPTOR SUBTYPE 1 (SSTR1) ACTIVE COMPOUNDS AND THEIR USE IN THERAPY Oy Juvantia Pharma Ltd (FI) 2006-08-23 EP disclosed
WO-2005056520-A1 SOMATOSTATIN RECEPTOR SUBTYPE 1 (SSTR1) ACTIVE COMPOUNDS AND THEIR USE IN THERAPY OY JUVANTIA PHARMA LTD (FI) 2005-06-23 WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM4 1060/4885TP53 573/4885SLC17A5 4507/4885

“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.