SCHEMBL1157170

SCHEMBL1157170

CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.46
▸ MDM4 O15151 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ BACE1 P56817 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ SLC17A5 Q9NRA2 1/20 0.39
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL30517361 0.77 MDM4 (0.42) MDM2MDM4TP53CASP3
SCHEMBL30262997 0.77 MDM4 (0.42) MDM2MDM4TP53CASP3
SCHEMBL25816905 0.77 MDM4 (0.42) MDM2MDM4TP53CASP3
SCHEMBL30517343 0.75 FABP5 (0.39) MDM4TP53
SCHEMBL25816888 0.75 FABP5 (0.39) MDM4TP53
SCHEMBL30133561 0.75 MDM2 (0.50) MDM2MDM4TP53BACE1CASP3
SCHEMBL25355242 0.75 BACE1 (0.53) MDM2MDM4TP53BACE1IDO1
SCHEMBL5434114 0.75 BACE1 (0.53) MDM2MDM4TP53BACE1IDO1
SCHEMBL31627392 0.75 BACE1 (0.53) MDM2MDM4TP53BACE1IDO1
SCHEMBL25356332 0.75 BACE1 (0.53) MDM2MDM4TP53BACE1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 — — US disclosed
EP-1383799-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TransTech Pharma Inc. (US) 2004-01-28 — — EP disclosed
WO-2003084997-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TRANSTECH PHARMA, INC. (US) 2003-10-16 — — WO disclosed
US-20030125315-A1 Probes, systems, and methods for drug discovery TRANSTECH PHARMA, INC. 2003-07-03 — — 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 (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-20030125315-A1 Probes, systems, and methods for drug discovery ABCG2, EZR, PAICS MDM2 269/4885MDM4 252/4885TP53 378/4885

“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.

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