SCHEMBL7338800

SCHEMBL7338800

CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.46
LY96 Q9Y6Y9 1/20 0.46
SLC17A5 Q9NRA2 1/20 0.45
PTPN1 P18031 1/20 0.45
MDM2 Q00987 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
SCHEMBL29351891 1.00 MDM4 (0.48) MDM4TP53CTSSCTSKEPHX2
SCHEMBL1957887 1.00 MDM4 (0.48) MDM4TP53CTSSCTSKEPHX2
SCHEMBL28741504 0.93 MDM4 (0.52) MDM4TP53CTSSCTSKMDM2
SCHEMBL28741502 0.93 MDM4 (0.52) MDM4TP53CTSSCTSKMDM2
SCHEMBL29633851 0.92 MDM2 (0.48) MDM4TP53KMT2APTPN1MDM2
SCHEMBL12568250 0.92 CTSS (0.52) MDM4TP53CTSSCTSKPTPN1
SCHEMBL12568249 0.92 CTSS (0.52) MDM4TP53CTSSCTSKPTPN1
SCHEMBL2855134 0.91 MDM4 (0.47) MDM4TP53KMT2APTPN1MDM2
SCHEMBL2855137 0.91 MDM4 (0.47) MDM4TP53KMT2APTPN1MDM2
SCHEMBL21689062 0.91 MDM4 (0.47) MDM4TP53KMT2APTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702327-B Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2013-10-30 CN claimed
CN-102702327-A Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2012-10-03 CN claimed
EP-2917218-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2017-01-04 EP disclosed
EP-2917218-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2017-01-04 EP disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY 2014-05-15 US disclosed
WO-2014074658-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed
US-20110086847-A1 THIADIAZOLE MODULATORS OF BETA ADRENERGIC RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-14 US disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
US-6153375-A MAKING COMBINATORIAL LIBRARIES BY USING SPECIFIC SOLID SUPPORT AND THEN REPEATEDLY ADDING REAGENT, RECORDING IDENTIFY OF ZONES, AND SUBDIVIDING BATCHES CAMBRIDGE COMBINATORIAL LIMITED (GB) 2000-11-28 US disclosed
EP-0792280-A1 METHOD OF MAKING A LIBRARY OF COMPOUNDS Cambridge Combinatorial Ltd. (GB) 1997-09-03 EP disclosed
WO-1996016078-A1 METHOD OF MAKING A LIBRARY OF COMPOUNDS PFIZER LIMITED (GB) 1996-05-30 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-20110086847-A1 THIADIAZOLE MODULATORS OF BETA ADRENERGIC RECEPTOR ADRB3, ADRB2, ADRB1 MDM4 4800/4885TP53 4862/4885CTSS 4333/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 MDM4 4420/4885TP53 1521/4885CTSS 1088/4885
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 MDM4 894/4885TP53 34/4885CTSS 422/4885

“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.