SCHEMBL5402294

SCHEMBL5402294

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.49
LTB4R2 Q9NPC1 3/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.48
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPY5R Q15761 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5400923 0.91 PPARG (0.48) LTB4RLTB4R2KMT2AALDH1A1MEN1
SCHEMBL5400875 0.90 LTB4R2 (0.45) LTB4RLTB4R2KMT2AMEN1FFAR1
SCHEMBL5409406 0.90 LTB4R (0.48) LTB4RLTB4R2KMT2AALDH1A1MEN1
SCHEMBL5402445 0.90 TDP1 (0.52) KMT2AALDH1A1MEN1
SCHEMBL6232981 0.90 KMT2A (0.60) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL5409294 0.89 FFAR1 (0.48) LTB4RLTB4R2KMT2AMEN1FFAR1
SCHEMBL5414300 0.89 LTB4R2 (0.53) LTB4RLTB4R2FFAR1FFAR4
SCHEMBL5403805 0.87 RAB9A (0.44) LTB4RLTB4R2KMT2AALDH1A1MEN1
SCHEMBL5398801 0.87 KMT2A (0.54) KMT2AALDH1A1MEN1L3MBTL1HPGD
SCHEMBL5407025 0.86 FFAR1 (0.47) LTB4RLTB4R2KMT2AALDH1A1MEN1

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 LTB4R 321/4885LTB4R2 329/4885KMT2A 2451/4885

“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.