SCHEMBL5398262

SCHEMBL5398262

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 3/20 0.50
APEX1 P27695 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
RAB9A P51151 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL5398699 0.95 RAB9A (0.48) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5416787 0.95 PPARA (0.49) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5400857 0.95 ALDH1A1 (0.50) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5406216 0.95 PPARA (0.49) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5403132 0.94 LMNA (0.48) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5403428 0.94 APP (0.49) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5402258 0.93 RAB9A (0.60) ALDH1A1HPGDAPEX1PPARARAB9A
SCHEMBL5399031 0.93 PPARA (0.51) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5399228 0.93 APEX1 (0.50) ALDH1A1HPGDAPEX1TP53GLA
SCHEMBL5397722 0.92 APEX1 (0.49) ALDH1A1HPGDAPEX1RAB9ASMN1; SMN2

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 ALDH1A1 1256/4885HPGD 1078/4885APEX1 2957/4885

“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.