SCHEMBL5398708

SCHEMBL5398708

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RAF1 P04049 3/20 0.46
MAP2K1 Q02750 3/20 0.46
APP P05067 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5394588 0.97 POLB (0.43) POLBRAF1MAP2K1APPALDH1A1
SCHEMBL5406332 0.95 RAF1 (0.46) RAF1MAP2K1ALDH1A1KDM4EMAPT
SCHEMBL4926471 0.86 POLB (0.45) POLBRAF1MAP2K1APPALDH1A1
SCHEMBL5401102 0.86 FFAR1 (0.47) POLBALDH1A1KDM4ELTB4RLTB4R2
SCHEMBL5401812 0.86 LTB4R (0.43) POLBALDH1A1KDM4ELTB4RLTB4R2
SCHEMBL5397151 0.85 FFAR1 (0.46) POLBALDH1A1LMNAMAPTMEN1
SCHEMBL5398713 0.85 KMT2A (0.50) POLBRAF1MAP2K1APPALDH1A1
SCHEMBL5406787 0.85 POLB (0.54) POLBRAF1MAP2K1APPALDH1A1
SCHEMBL5407016 0.85 RAB9A (0.43) POLBALDH1A1MAPTTHRBMEN1
SCHEMBL5395656 0.85 FFAR1 (0.39) POLBRAF1MAP2K1ALDH1A1LMNA

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 POLB 527/4885RAF1 1038/4885MAP2K1 2098/4885

“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.