SCHEMBL5401045

SCHEMBL5401045

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5406126 0.97 PPARA (0.48) PPARAPPARGLMNAMAPTEPHX2
SCHEMBL5399031 0.94 PPARA (0.51) PPARAPPARGLMNATP53EPHX2
SCHEMBL5403132 0.94 LMNA (0.48) PPARAPPARGLMNAMAPTTP53
SCHEMBL5392437 0.91 LMNA (0.46) PPARAPPARGLMNAMAPTTP53
SCHEMBL5397415 0.91 PPARA (0.46) PPARAPPARGLMNAMAPTTP53
SCHEMBL5436037 0.91 PTGDR2 (0.46) PPARAPPARGLMNAMAPTTP53
SCHEMBL5401067 0.91 LMNA (0.47) PPARAPPARGLMNAMAPTTP53
SCHEMBL5403428 0.90 APP (0.49) PPARAPPARGLMNAMAPTTP53
SCHEMBL5409385 0.88 MEN1 (0.46) PPARAPPARGLMNAMAPTTP53
SCHEMBL4921807 0.88 LMNA (0.46) PPARAPPARGLMNAMAPTTP53

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB PPARA 195/4885PPARG 467/4885LMNA 308/4885

“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.