SCHEMBL5203445

SCHEMBL5203445

O=C(NCC(NC(=O)OCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.53
TP53 P04637 2/20 0.53
IDO1 P14902 2/20 0.53
TDO2 P48775 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
TNF P01375 1/20 0.51
KMT2A Q03164 2/20 0.50
TLR2 O60603 2/20 0.49
CASP3 P42574 2/20 0.48
SLC17A5 Q9NRA2 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL29400714 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL22552830 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL29401757 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL119444 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL6290889 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL25168212 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL31220290 1.00 MDM4 (0.53) MDM4TP53IDO1TDO2HDAC1
SCHEMBL119688 0.93 MDM4 (0.59) MDM4TP53KMT2ATLR2CASP3
SCHEMBL5967446 0.93 MDM4 (0.59) MDM4TP53KMT2ATLR2CASP3
SCHEMBL31276348 0.93 MDM4 (0.59) MDM4TP53KMT2ATLR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577259-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 US disclosed
US-7994168-B2 Hexahydro-pyrazino[1,2-A]pyrimidine-4,7-dione derivatives substituted with amino acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-08-09 US disclosed
US-20070197539-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 EP disclosed
EP-1135374-B1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2006-09-06 EP disclosed
EP-1135374-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-09-26 EP disclosed
US-6204282-B1 TREATING CANCER, RETINOPATHY, ATHEROSCLEROSIS, VASCULAR RESTENOSIS, OR OSTEOPOROSIS. SCHERING CORPORATION 2001-03-20 US disclosed
WO-2000032578-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-06-08 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 (3 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-20070197539-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS TYMP, DPYD, P2RX7 MDM4 277/4885TP53 539/4885IDO1 383/4885
US-12577259-B2 PCSK9 antagonist compounds PCSK9, LDLR, PCSK6 MDM4 4790/4885TP53 4774/4885IDO1 2614/4885
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 MDM4 4772/4885TP53 3596/4885IDO1 2136/4885

“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.