SCHEMBL4928591

SCHEMBL4928591

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
APP P05067 1/20 0.44
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5401067 0.97 LMNA (0.47) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL5403428 0.95 APP (0.49) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL5405907 0.94 LMNA (0.45) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL5406216 0.94 PPARA (0.49) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL5394236 0.93 MEN1 (0.51) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL4921807 0.93 LMNA (0.46) LMNAHPGDSMN1; SMN2PPARAPPARG
SCHEMBL4931284 0.93 PPARA (0.46) LMNAHPGDALDH1A1PPARAPPARG
SCHEMBL5405822 0.92 SMN1; SMN2 (0.46) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL4931927 0.92 LMNA (0.45) LMNAHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL5403132 0.92 LMNA (0.48) LMNAHPGDALDH1A1SMN1; SMN2MAPK1

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 LMNA 308/4885HPGD 1078/4885ALDH1A1 1256/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 LMNA 2447/4885HPGD 993/4885ALDH1A1 1978/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 LMNA 2447/4885HPGD 993/4885ALDH1A1 1978/4885

“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.