SCHEMBL120613

SCHEMBL120613

O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.51
TP53 P04637 3/20 0.51
SLC17A5 Q9NRA2 1/20 0.47
MDM2 Q00987 5/20 0.47
CASP3 P42574 2/20 0.46
EPHX2 P34913 1/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR2 O60603 1/20 0.43

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
SCHEMBL30532481 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL2305506 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29872206 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL120601 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29907877 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29928500 1.00 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL30951908 0.92 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL30951920 0.92 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL30951921 0.92 MDM4 (0.51) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL31369506 0.91 MDM4 (0.52) MDM4TP53SLC17A5MDM2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 CN disclosed
CN-109206481-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-08-18 CN disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 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.