SCHEMBL5399549

SCHEMBL5399549

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
SLC6A5 Q9Y345 2/20 0.52
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
LMNA P02545 1/20 0.52
KCNK3 O14649 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LPAR1 Q92633 2/20 0.48
LPAR5 Q9H1C0 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 1/20 0.47
ALOX5 P09917 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
SCHEMBL5416931 0.93 LPAR1 (0.57) KMT2ASLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL5408490 0.92 RAB9A (0.48) KMT2ASLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL5398082 0.92 ALDH1A1 (0.54) KMT2ASLC6A5ALDH1A1LPAR1LPAR5
SCHEMBL5402499 0.92 ALDH1A1 (0.54) KMT2ASLC6A5ALDH1A1LPAR1LPAR5
SCHEMBL5406045 0.91 RAB9A (0.55) SLC6A5LMNALPAR1LPAR5NPC1
SCHEMBL5399048 0.91 ALDH1A1 (0.52) KMT2ASLC6A5LMNAALDH1A1LPAR1
SCHEMBL5399241 0.91 NPC1 (0.51) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL5408415 0.90 MAPT (0.55) KMT2ALMNAALDH1A1NPC1GAA
SCHEMBL5403803 0.89 NPC1 (0.51) KMT2ASLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL5395599 0.89 PLAAT3 (0.56) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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 KMT2A 2451/4885SLC6A5 1200/4885PLAAT3 1173/4885

“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.