SCHEMBL5401102

SCHEMBL5401102

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
PPARG P37231 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5397151 0.92 FFAR1 (0.46) FFAR1FFAR4ALDH1A1MAPTTDP1
SCHEMBL5403476 0.91 FFAR1 (0.41) FFAR1FFAR4ALDH1A1PPARGMEN1
SCHEMBL5401812 0.90 LTB4R (0.43) FFAR1FFAR4KDM4EALDH1A1LTB4R
SCHEMBL5414051 0.89 KMT2A (0.46) FFAR1FFAR4LTB4RLTB4R2MAPT
SCHEMBL5399576 0.88 FFAR1 (0.40) FFAR1FFAR4KDM4EALDH1A1PPARG
SCHEMBL5394588 0.86 POLB (0.43) KDM4EALDH1A1MAPTMEN1LMNA
SCHEMBL5398708 0.86 POLB (0.47) KDM4EALDH1A1LTB4RLTB4R2MAPT
SCHEMBL5409818 0.86 FFAR1 (0.45) FFAR1FFAR4ALDH1A1LTB4R2NPC1
SCHEMBL5399211 0.85 HCRTR1 (0.38) FFAR1FFAR4ALDH1A1MEN1LMNA
SCHEMBL5395656 0.85 FFAR1 (0.39) FFAR1FFAR4ALDH1A1MEN1LMNA

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 187/4885KDM4E 4680/4885

“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.