SCHEMBL4929491

SCHEMBL4929491

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(Cl)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.46
LMNA P02545 2/20 0.45
APP P05067 1/20 0.45
RAB9A P51151 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CTSD P07339 1/20 0.42
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5397266 0.97 APEX1 (0.46) APEX1LMNARAB9APDE10ACTSD
SCHEMBL5397722 0.94 APEX1 (0.49) APEX1LMNARAB9APDE10ACTSD
SCHEMBL4931927 0.93 LMNA (0.45) APEX1LMNAAPPRAF1MAP2K1
SCHEMBL5403428 0.93 APP (0.49) APEX1LMNAAPPRAB9AHPGD
SCHEMBL5401148 0.92 LMNA (0.46) APEX1LMNAAPPRAB9AHPGD
SCHEMBL5392202 0.92 RAB9A (0.55) APEX1LMNAAPPRAB9AHPGD
SCHEMBL5394236 0.91 MEN1 (0.51) APEX1LMNAAPPRAB9APDE10A
SCHEMBL5436037 0.90 PTGDR2 (0.46) APEX1LMNARAB9AHPGD
SCHEMBL5403132 0.90 LMNA (0.48) APEX1LMNAAPPRAB9AHPGD
SCHEMBL4931284 0.89 PPARA (0.46) APEX1LMNAAPPRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP 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 (3 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 APEX1 2957/4885LMNA 308/4885APP 12/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 APEX1 3939/4885LMNA 2447/4885APP 2780/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 APEX1 3939/4885LMNA 2447/4885APP 2780/4885

“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.