SCHEMBL4684740

SCHEMBL4684740

CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.53
PSMB5 P28074 4/20 0.53
KDM4E B2RXH2 4/20 0.53
PSMB2 P49721 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LTA4H P09960 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ACACB O00763 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4684742 1.00 PSMB1 (0.53) PSMB1PSMB5KDM4EPSMB2MEN1
SCHEMBL3815002 0.99 PSMB1 (0.51) PSMB1PSMB5KDM4EPSMB2MEN1
SCHEMBL3376479 0.92 HRH2 (0.48) KDM4EMEN1KMT2ALTA4HALDH1A1
SCHEMBL3376486 0.92 HRH2 (0.48) KDM4EMEN1KMT2ALTA4HALDH1A1
SCHEMBL3376481 0.92 HRH2 (0.48) KDM4EMEN1KMT2ALTA4HALDH1A1
SCHEMBL3379563 0.90 ALDH1A1 (0.53) KDM4EMEN1KMT2ALTA4HHRH3
SCHEMBL3379568 0.90 ALDH1A1 (0.53) KDM4EMEN1KMT2ALTA4HHRH3
SCHEMBL3379566 0.90 ALDH1A1 (0.53) KDM4EMEN1KMT2ALTA4HHRH3
SCHEMBL5227540 0.85 KDM4E (0.56) PSMB1PSMB5KDM4EPSMB2MEN1
SCHEMBL31737696 0.83 HRH2 (0.48) KDM4ELTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU PSMB1 4584/4885PSMB5 4162/4885KDM4E 704/4885

“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.