SCHEMBL5403845

SCHEMBL5403845

CCCCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCCc1ccccc1)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.60
LPAR1 Q92633 7/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
LIMK1 P53667 1/20 0.48
LIMK2 P53671 1/20 0.48
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL5398871 0.97 LTB4R2 (0.56) LTB4R2LPAR1HDAC1HDAC6LIMK1
SCHEMBL5404377 0.95 LTB4R2 (0.60) LTB4R2LPAR1HDAC1HDAC6LIMK1
SCHEMBL5405911 0.92 TSHR (0.55) LTB4R2LPAR1
SCHEMBL5412103 0.92 LTB4R2 (0.54) LTB4R2LPAR1HDAC1HDAC6PKM
SCHEMBL5408998 0.91 LTB4R2 (0.51) LTB4R2LPAR1HDAC1HDAC6LIMK1
SCHEMBL5394630 0.90 LPAR1 (0.53) LTB4R2LPAR1LIMK2
SCHEMBL5414113 0.89 LPAR1 (0.58) LTB4R2LPAR1HDAC1HDAC6HDAC3
SCHEMBL5402609 0.89 LPAR1 (0.59) LTB4R2LPAR1
SCHEMBL5399607 0.89 LTB4R2 (0.56) LTB4R2LPAR1HDAC1HDAC6LIMK1
SCHEMBL5401137 0.88 LTB4R2 (0.49) LTB4R2LPAR1HDAC1HDAC6LIMK1

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 LTB4R2 329/4885LPAR1 17/4885HDAC1 2189/4885

“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.