SCHEMBL5403086

SCHEMBL5403086

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2c(F)cccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNK5 O95279 1/20 0.46
KCNA5 P22460 1/20 0.46
KCNK17 Q96T54 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
SLC6A5 Q9Y345 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR1 Q92633 2/20 0.41
TAS1R3 Q7RTX0 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
SCHEMBL5401156 0.92 RAB9A (0.49) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5393984 0.92 HDAC1 (0.49) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5406613 0.91 FFAR1 (0.41) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5412218 0.91 RAB9A (0.56) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5405796 0.91 KCNK3 (0.54) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5409280 0.91 RAB9A (0.44) KCNA5RAB9AALDH1A1KMT2AKDM4E
SCHEMBL5395784 0.90 ALDH1A1 (0.43) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL5399048 0.90 ALDH1A1 (0.52) RAB9AALDH1A1KMT2AMAPTSLC6A5
SCHEMBL5400829 0.89 KCNK3 (0.49) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL5398082 0.89 ALDH1A1 (0.54) RAB9AALDH1A1KMT2AMAPTSLC6A5

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 KCNK3 4364/4885KCNK5 4340/4885KCNA5 3586/4885

“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.