SCHEMBL5152274

SCHEMBL5152274

COc1cc(CC(=O)O)ccc1N(C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGDR2 Q9Y5Y4 9/20 0.42
TBXA2R P21731 2/20 0.41
PTGDR Q13258 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
PTGIR P43119 1/20 0.41
CA5A P35218 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41
LMNA P02545 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6962762 0.85 GAA (0.48) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5155305 0.84 GAA (0.49) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5155259 0.83 ALDH1A1 (0.48) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5152157 0.83 GAA (0.48) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL6234919 0.83 GAA (0.48) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5273127 0.83 GAA (0.52) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL6964628 0.80 GAA (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL6238605 0.77 CMA1 (0.40) GAAALDH1A1LMNANPSR1MEN1
SCHEMBL14856369 0.76 GAA (0.62) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5331837 0.75 LMNA (0.42) GAAALDH1A1NFKB1TDP1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GAA 1575/4885ALDH1A1 120/4885TSHR 3309/4885

“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.