SCHEMBL5060916

SCHEMBL5060916

C=CCOC(=O)[C@H](CSCCCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MDM2 Q00987 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.41
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL5060915 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MDM2SLC17A5MDM4TP53
SCHEMBL5274394 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MDM2SLC17A5MDM4TP53
SCHEMBL31144246 0.90 MDM2 (0.46) MDM2MDM4TP53CASP3
SCHEMBL30393072 0.89 SLC17A5 (0.51) MDM2SLC17A5MDM4TP53CASP3
SCHEMBL5056936 0.89 SLC17A5 (0.51) MDM2SLC17A5MDM4TP53CASP3
SCHEMBL5056933 0.89 SLC17A5 (0.51) MDM2SLC17A5MDM4TP53CASP3
SCHEMBL5065049 0.88 MDM2 (0.45) MDM2MDM4TP53CASP3
SCHEMBL5060938 0.88 KMT2A (0.51) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL29624261 0.86 SLC17A5 (0.49) MDM2SLC17A5MDM4TP53CASP3
SCHEMBL29987626 0.86 CASP3 (0.46) SMN1; SMN2MDM2MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004290-A1 Anti-Cancer Agents THE UNIVERSITY OF QUEENSLAND (AU) 2008-01-03 — — 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-20080004290-A1 Anti-Cancer Agents TP53, TOP2A, MCL1 SMN1; SMN2 3813/4885MDM2 1432/4885SLC17A5 1418/4885

“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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