SCHEMBL119454

SCHEMBL119454

N#Cc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.50
TP53 P04637 3/20 0.50
GPR34 Q9UPC5 1/20 0.48
MDM2 Q00987 2/20 0.46
CASP3 P42574 2/20 0.46
EPHX2 P34913 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC17A5 Q9NRA2 1/20 0.45
PTPN1 P18031 1/20 0.44
TNF P01375 1/20 0.44
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL29528946 1.00 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL120479 1.00 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL29907902 1.00 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL30686154 1.00 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL3727547 1.00 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL31369461 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL30813308 0.91 MDM4 (0.49) MDM4TP53MDM2CASP3EPHX2
SCHEMBL27172943 0.91 MDM4 (0.49) MDM4TP53MDM2CASP3EPHX2
SCHEMBL30813350 0.91 MDM4 (0.49) MDM4TP53MDM2CASP3EPHX2
SCHEMBL27205008 0.91 MDM4 (0.49) MDM4TP53MDM2CASP3EPHX2

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
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-8318717-B2 Tetrapeptide capable of inhibiting binding of the Smac protein to Inhibitors of apoptosis, thus promoting apoptosis or sensitizing cells; antiproliferative and anticarcinogenic agents 2CUREX (DK) 2012-11-27 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
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
US-20080194537-A1 Compounds Modifying Apoptosis 2CUREX (DK) 2008-08-14 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 (2 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-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD MDM4 486/4885TP53 32/4885GPR34 4204/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM4 1060/4885TP53 573/4885GPR34 845/4885

“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.