SCHEMBL5414873

SCHEMBL5414873

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCN(C)C)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
LPAR1 Q92633 2/20 0.41
TSHR P16473 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 2/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL5402519 0.94 PPARG (0.47) LTB4RLTB4R2LPAR1TSHRKMT2A
SCHEMBL5395527 0.92 LPAR1 (0.43) LTB4RLTB4R2LPAR1TSHRKMT2A
SCHEMBL5404088 0.91 LTB4R2 (0.47) LTB4RLTB4R2LPAR1LMNAPPARG
SCHEMBL5399052 0.91 LPAR1 (0.50) LPAR1TSHRKMT2ALPAR5TP53
SCHEMBL5409406 0.91 LTB4R (0.48) LTB4RLTB4R2TSHRKMT2ANPC1
SCHEMBL5400875 0.91 LTB4R2 (0.45) LTB4RLTB4R2LPAR1TSHRKMT2A
SCHEMBL5409849 0.86 KMT2A (0.49) LPAR1TSHRKMT2AMAPK1PPARG
SCHEMBL5398924 0.86 LPAR1 (0.46) LPAR1KMT2AACHEMEN1
SCHEMBL5399033 0.86 APP (0.48) LTB4RLTB4R2LPAR1KMT2AACHE
SCHEMBL5399038 0.86 LPAR1 (0.50) LPAR1TSHRKMT2ALPAR5TP53

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 329/4885LPAR1 17/4885

“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.