SCHEMBL4930149

SCHEMBL4930149

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.44
ORAI1 Q96D31 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK8 P45983 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL1192158 0.99 SGMS2 (0.44) SGMS2ORAI1L3MBTL1MAPK8HSD17B10
SCHEMBL5392395 0.91 NOTUM (0.40) SGMS2KDM4EALDH1A1AOC3MEN1
SCHEMBL5412105 0.87 TRPV1 (0.46) KDM4EALDH1A1KMT2ATRPV1KCNK3
SCHEMBL5403373 0.87 ABCB1 (0.43) AOC3TRPV1
SCHEMBL5402993 0.87 MAPK1 (0.44) L3MBTL1KDM4EALDH1A1KMT2ATRPV1
SCHEMBL4930701 0.86 TRPV1 (0.41) ORAI1L3MBTL1HSD17B10HPGDKDM4E
SCHEMBL5405706 0.86 POLB (0.40) MEN1KMT2ATRPV1KCNK3KCNH2
SCHEMBL5397700 0.85 MAPK8 (0.43) SGMS2MAPK8HSD17B10HPGDKDM4E
SCHEMBL4930152 0.85 KMT2A (0.49) L3MBTL1MAPK8HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL1192159 0.84 KMT2A (0.49) L3MBTL1MAPK8HPGDALDH1A1MEN1

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 SGMS2 544/4885ORAI1 2805/4885L3MBTL1 1016/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 SGMS2 542/4885ORAI1 1682/4885L3MBTL1 2319/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 SGMS2 542/4885ORAI1 1682/4885L3MBTL1 2319/4885

“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.