SCHEMBL5402529

SCHEMBL5402529

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5402208 0.91 SMN1; SMN2 (0.43) FFAR1FFAR4MAPTPOLBSMN1; SMN2
SCHEMBL5414355 0.91 LTB4R (0.42) LTB4RLTB4R2MAPTTHRBSMN1; SMN2
SCHEMBL5402772 0.87 ALDH1A1 (0.41) MAPTTHRBNPC1RAB9ATP53
SCHEMBL5417110 0.87 APP (0.42) LTB4RLTB4R2MAPTTHRBPOLB
SCHEMBL5414380 0.86 MAPT (0.41) MAPTTHRBPOLBSMN1; SMN2
SCHEMBL5392381 0.85 LMNA (0.38) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL5399042 0.85 LPAR1 (0.39) MAPTRAB9ATP53SMN1; SMN2TDP1
SCHEMBL5392458 0.84 CA1 (0.51) CA12CA1CA2CA4
SCHEMBL5402535 0.83 HPGD (0.52) MAPTPOLBTP53SMN1; SMN2
SCHEMBL5403777 0.83 ALDH1A1 (0.45) MAPTNPC1RAB9APOLBTP53

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 FFAR1 65/4885FFAR4 187/4885LTB4R 321/4885

“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.