SCHEMBL5631124

SCHEMBL5631124

COC(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ TLR2 O60603 1/20 0.44
▸ TLR1 Q15399 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
SCHEMBL5631131 1.00 KMT2A (0.47) KMT2AMDM2MDM4TP53IDO1
SCHEMBL30385583 0.96 MDM2 (0.48) KMT2AMDM2MDM4TP53
SCHEMBL30403561 0.96 MDM2 (0.48) KMT2AMDM2MDM4TP53
SCHEMBL28982175 0.96 MDM2 (0.48) KMT2AMDM2MDM4TP53
SCHEMBL28982176 0.96 MDM2 (0.48) KMT2AMDM2MDM4TP53
SCHEMBL1000225 0.91 MDM2 (0.52) KMT2AMDM2MDM4TP53IDO1
SCHEMBL29398859 0.91 MDM2 (0.52) KMT2AMDM2MDM4TP53IDO1
SCHEMBL3348411 0.91 MDM2 (0.52) KMT2AMDM2MDM4TP53IDO1
SCHEMBL999883 0.91 MDM2 (0.52) KMT2AMDM2MDM4TP53IDO1
SCHEMBL29402190 0.91 MDM2 (0.52) KMT2AMDM2MDM4TP53IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 — — US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 — — US disclosed
US-20070185128-A1 Compounds and compositions for treating obesity NOVO NORDISK A/S (DK) 2007-08-09 — — US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 — — US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 — — US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 — — US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 — — US disclosed
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 — — EP disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 — — 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 (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-20070185128-A1 Compounds and compositions for treating obesity MC4R, MC5R, MC3R KMT2A 2554/4885MDM2 4773/4885MDM4 4869/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 KMT2A 4000/4885MDM2 3095/4885MDM4 4842/4885

“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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