SCHEMBL5406401

SCHEMBL5406401

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.42
FFAR1 O14842 3/20 0.41
SGMS1 Q86VZ5 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
TP53 P04637 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK5 O95279 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNK17 Q96T54 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
SRC P12931 1/20 0.39
POLB P06746 2/20 0.39
LTB4R Q15722 2/20 0.39

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
SCHEMBL5394068 0.93 RAB9A (0.49) RAB9ATP53KMT2AMEN1PPARG
SCHEMBL5409652 0.93 RXFP1 (0.44) RAB9ARXFP1FFAR1FFAR4TP53
SCHEMBL5412186 0.92 RAB9A (0.53) RAB9AFFAR1TP53KCNK3KCNK5
SCHEMBL5406167 0.91 RXFP1 (0.49) RAB9ARXFP1FFAR1FFAR4TP53
SCHEMBL5392184 0.91 MEN1 (0.47) RAB9AFFAR1FFAR4TP53KMT2A
SCHEMBL5404109 0.91 LTB4R (0.46) RAB9ARXFP1FFAR1FFAR4TP53
SCHEMBL5402851 0.90 FFAR1 (0.47) RAB9AFFAR1TP53KCNA5KMT2A
SCHEMBL5396038 0.90 RAB9A (0.59) RAB9ATP53KMT2AMEN1NPC1
SCHEMBL5404244 0.90 RAB9A (0.45) RAB9AFFAR1FFAR4TP53KMT2A
SCHEMBL5408340 0.89 ALDH1A1 (0.47) RAB9AFFAR1TP53KMT2AMEN1

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 3132/4885RXFP1 1089/4885FFAR1 65/4885

“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.