SCHEMBL5406842

SCHEMBL5406842

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
LTA4H P09960 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5418561 0.91 TDP1 (0.47) FFAR1FFAR4LTB4RLTA4HTDP1
SCHEMBL5399151 0.91 LTB4R (0.42) LTB4RLTB4R2TDP1MEN1KMT2A
SCHEMBL5407120 0.90 KMT2A (0.41) LTB4RLTB4R2TDP1MEN1KMT2A
SCHEMBL5399037 0.88 TRPM8 (0.39) FFAR1FFAR4LTA4HTDP1MEN1
SCHEMBL5392301 0.87 MEN1 (0.41) TDP1MEN1KMT2APOLB
SCHEMBL5402495 0.87 POLB (0.44) LTB4RLTB4R2TDP1MEN1KMT2A
SCHEMBL5400818 0.86 MEN1 (0.39) TDP1MEN1KMT2ATRPM8POLB
SCHEMBL5404063 0.85 KDM4A (0.40) LTB4RLTB4R2TDP1MEN1KMT2A
SCHEMBL5398199 0.85 MEN1 (0.44) LTA4HTDP1MEN1KMT2ARAB9A
SCHEMBL5398741 0.84 CA1 (0.48)

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 FFAR1 65/4885FFAR4 187/4885LTB4R 321/4885

“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.