SCHEMBL5402302

SCHEMBL5402302

Cc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(C)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
TRPV1 Q8NER1 1/20 0.41
SGMS2 Q8NHU3 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.35
POLQ O75417 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TBXAS1 P24557 4/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL5409148 0.88 TRPV1 (0.48) TRPV1HDAC6POLBTBXAS1HTT
SCHEMBL5392395 0.88 NOTUM (0.40) NOTUMTRPV1SGMS2POLBALDH1A1
SCHEMBL5412150 0.87 TBXAS1 (0.46) TRPV1TBXAS1HTTKCNA5
SCHEMBL5400596 0.87 TRPV1 (0.48) NOTUMTRPV1HDAC6TBXAS1ALDH1A1
SCHEMBL5394305 0.87 NOTUM (0.43) NOTUMTRPV1SGMS2HDAC6POLQ
SCHEMBL5398696 0.87 TRPV1 (0.47) NOTUMTRPV1HDAC6POLBTBXAS1
SCHEMBL5401132 0.86 TRPV1 (0.51) TRPV1HDAC6TBXAS1HTT
SCHEMBL5405706 0.85 POLB (0.40) NOTUMTRPV1POLBGPBAR1
SCHEMBL5397881 0.85 TRPV1 (0.41) NOTUMTRPV1HDAC6POLBHTT
SCHEMBL5404128 0.85 POLB (0.39) TRPV1POLBPOLQGPBAR1TBXAS1

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 NOTUM 3440/4885TRPV1 1916/4885SGMS2 544/4885

“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.