SCHEMBL5397193

SCHEMBL5397193

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(F)c2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
KCNA5 P22460 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK5 O95279 1/20 0.44
KCNK17 Q96T54 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
PDE10A Q9Y233 1/20 0.42
APEX1 P27695 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL5406295 0.94 KCNA5 (0.43) RAB9AKCNA5KCNK3KCNK5KCNK17
SCHEMBL5408584 0.94 RAB9A (0.48) RAB9AKCNA5KCNK3KCNK5KCNK17
SCHEMBL5409462 0.93 KMT2A (0.49) RAB9AKCNA5KCNK3KCNK5KCNK17
SCHEMBL5394257 0.93 HPGD (0.51) RAB9AHPGDTP53GLAAPEX1
SCHEMBL5406600 0.91 RAB9A (0.58) RAB9AHPGDTP53GLAAPEX1
SCHEMBL5418495 0.91 RAB9A (0.46) RAB9AHPGDTP53GLAAPEX1
SCHEMBL5401077 0.91 KCNA5 (0.47) RAB9AKCNA5KCNK3KCNK5KCNK17
SCHEMBL5397117 0.90 APEX1 (0.52) RAB9AHPGDTP53GLAPDE10A
SCHEMBL5406171 0.88 KCNA5 (0.45) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL5418600 0.88 HPGD (0.52) RAB9AHPGDMEN1KMT2AALDH1A1

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 RAB9A 3132/4885KCNA5 3586/4885KCNK3 4364/4885

“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.