SCHEMBL5406416

SCHEMBL5406416

CCCCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.54
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LPAR5 Q9H1C0 1/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
LPAR2 Q9HBW0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.44
APLNR P35414 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5398909 0.93 LPAR1 (0.51) LPAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5401293 0.92 LTB4R2 (0.48) LPAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5403150 0.91 LPAR1 (0.49) LPAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5401622 0.90 LPAR1 (0.53) LPAR1LPAR5LPAR2MAPT
SCHEMBL5408834 0.90 LPAR1 (0.48) LPAR1LPAR5LTB4R2LPAR2LPAR3
SCHEMBL5397206 0.90 LPAR1 (0.50) LPAR1LPAR2
SCHEMBL5401137 0.87 LTB4R2 (0.49) LPAR1CYP2D6LTB4R2
SCHEMBL5402261 0.87 KMT2A (0.50) LPAR1
SCHEMBL5394574 0.87 LPAR1 (0.55) LPAR1LPAR5LTB4R2LPAR2LPAR3
SCHEMBL5398871 0.87 LTB4R2 (0.56) LPAR1LTB4R2

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 LPAR1 17/4885CYP1A2 2649/4885CYP3A4 3513/4885

“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.