SCHEMBL4930232

SCHEMBL4930232

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccnc2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP51A1 Q16850 1/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL4926471 0.97 POLB (0.45) POLBTRPV1MAPK1ALDH1A1HTT
SCHEMBL5402993 0.94 MAPK1 (0.44) TRPV1MAPK1ALDH1A1HTTNPSR1
SCHEMBL4928569 0.87 TRPV1 (0.46) POLBTRPV1MAPK1ALDH1A1LMNA
SCHEMBL5395614 0.86 LTB4R (0.41) POLBTRPV1ALDH1A1NOTUM
SCHEMBL5394588 0.86 POLB (0.43) POLBALDH1A1RAF1MAP2K1LMNA
SCHEMBL4930242 0.86 POLB (0.49) POLBALDH1A1HTTNPSR1LMNA
SCHEMBL5394305 0.85 NOTUM (0.43) TRPV1ALDH1A1HTTLMNAKMT2A
SCHEMBL5412105 0.85 TRPV1 (0.46) TRPV1ALDH1A1KMT2A
SCHEMBL5403373 0.85 ABCB1 (0.43) TRPV1HTT
SCHEMBL4930701 0.84 TRPV1 (0.41) TRPV1MAPK1ALDH1A1NPSR1NOTUM

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 POLB 527/4885TRPV1 1916/4885MAPK1 1369/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 POLB 3551/4885TRPV1 2000/4885MAPK1 3268/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 POLB 3551/4885TRPV1 2000/4885MAPK1 3268/4885

“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.