SCHEMBL5409462

SCHEMBL5409462

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK5 O95279 1/20 0.44
KCNA5 P22460 1/20 0.44
KCNK17 Q96T54 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5394257 0.95 HPGD (0.51) KMT2AMEN1HPGDTP53GLA
SCHEMBL5406295 0.93 KCNA5 (0.43) KMT2AMEN1PLA2G1BATG4BHPGD
SCHEMBL5401695 0.93 KCNK3 (0.46) KMT2AMEN1HPGDTP53GLA
SCHEMBL5403505 0.93 HPGD (0.47) KMT2AMEN1HPGDTP53GLA
SCHEMBL5418464 0.93 PLA2G1B (0.52) KMT2APLA2G1BATG4BHPGDTP53
SCHEMBL5397193 0.93 RAB9A (0.46) KMT2AMEN1PLA2G1BATG4BHPGD
SCHEMBL5402383 0.92 ALDH1A1 (0.46) KMT2AMEN1HPGDTP53GLA
SCHEMBL5405773 0.91 PPARA (0.43) KMT2AMEN1HPGDTP53GLA
SCHEMBL5406171 0.91 KCNA5 (0.45) PLA2G1BATG4BHPGDTP53GLA
SCHEMBL5418600 0.90 HPGD (0.52) KMT2AMEN1PLA2G1BATG4BHPGD

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 2451/4885MEN1 891/4885PLA2G1B 602/4885

“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.