SCHEMBL6579542

SCHEMBL6579542

CC(C)(C)c1ccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(OC(=O)CCC(=O)O)c2ccc(F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.35
ADCY6 O43306 4/20 0.35
ADCY3 O60266 4/20 0.35
ADCY9 O60503 4/20 0.35
ADCY5 O95622 4/20 0.35
ADCY8 P40145 4/20 0.35
ADCY7 P51828 4/20 0.35
ADCY2 Q08462 4/20 0.35
ADCY1 Q08828 4/20 0.35
ADCY4 Q8NFM4 4/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
EPHX2 P34913 1/20 0.34
PTGER4 P35408 1/20 0.34
CNR1 P21554 2/20 0.33
THRB P10828 1/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33
MT-CO2 P00403 1/20 0.33

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
SCHEMBL6579539 0.97 ITGB1 (0.35) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL5751437 0.93 ITGB1 (0.37) ITGB1ITGA4PTGER4
SCHEMBL5753208 0.89 ITGB1 (0.38) ITGB1ITGA4PTGER4
SCHEMBL5749899 0.89 GCGR (0.38) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL5754301 0.83 ITGB1 (0.38) ITGB1ITGA4NR1H4PTGER4CNR1
SCHEMBL5751322 0.75 ITGB1 (0.41) ITGB1ITGA4PTGER4
SCHEMBL5753649 0.75 NPSR1 (0.32)
SCHEMBL7121405 0.74 LMNA (0.39) ITGB1ITGA4NR1H4EPHX2THRB
SCHEMBL5751172 0.74 BACE1 (0.38) NR1H4EPHX2PTGER4BCHEBACE1
SCHEMBL1897805 0.73 BACE1 (0.39) GCGRADCY6ADCY3ADCY9ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP GCGR 570/4885ADCY6 3003/4885ADCY3 2219/4885

“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.