SCHEMBL5402332

SCHEMBL5402332

COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
HPGD P15428 7/20 0.52
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
RCE1 Q9Y256 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK5 O95279 1/20 0.47
KCNA5 P22460 1/20 0.47
KCNK17 Q96T54 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
LPAR1 Q92633 1/20 0.46
KMT2A Q03164 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5394988 0.94 HPGD (0.56) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL5394243 0.93 TAS1R3 (0.52) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL5394841 0.89 HTT (0.48) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL5412231 0.89 KCNA5 (0.48) PLA2G1BATG4BHPGDALDH1A1KCNK3
SCHEMBL5418464 0.88 PLA2G1B (0.52) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL5403231 0.88 HDAC1 (0.55) HPGDKCNK3KCNK5KCNA5KCNK17
SCHEMBL5402486 0.88 HDAC1 (0.55) HPGDKCNK3KCNK5KCNA5KCNK17
SCHEMBL5402865 0.87 KMT2A (0.55) HPGDALDH1A1KDM4EKMT2ARAB9A
SCHEMBL5403255 0.87 KCNA5 (0.56) PLA2G1BATG4BHPGDALDH1A1KCNK3
SCHEMBL5394377 0.87 KCNA5 (0.46) PLA2G1BATG4BALDH1A1KCNK3KCNK5

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 PLA2G1B 602/4885ATG4B 3471/4885HPGD 1078/4885

“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.