SCHEMBL5401293

SCHEMBL5401293

CCCCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.48
LPAR1 Q92633 6/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP2C9 P11712 1/20 0.41
LPAR5 Q9H1C0 1/20 0.40

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
SCHEMBL5407075 0.92 LPAR1 (0.45) LTB4R2LPAR1MAPT
SCHEMBL5406416 0.92 LPAR1 (0.54) LTB4R2LPAR1LMNAMAPTCYP2D6
SCHEMBL5402410 0.92 TSHR (0.46) LTB4R2LPAR1LMNAMAPT
SCHEMBL5397135 0.91 LPAR1 (0.42) LPAR1MAPTLIMK2
SCHEMBL5403464 0.89 KMT2A (0.48) LPAR1LMNAMAPT
SCHEMBL5401137 0.87 LTB4R2 (0.49) LTB4R2LPAR1HDAC1HDAC6CYP2D6
SCHEMBL5398909 0.86 LPAR1 (0.51) LTB4R2LPAR1CYP2D6CYP1A2CYP3A4
SCHEMBL5398871 0.86 LTB4R2 (0.56) LTB4R2LPAR1HDAC1HDAC6LIMK1
SCHEMBL5414300 0.86 LTB4R2 (0.53) LTB4R2LPAR1
SCHEMBL5403845 0.85 LTB4R2 (0.60) 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 17/4885LMNA 308/4885

“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.