SCHEMBL5749376

SCHEMBL5749376

CC(C)(C)OC(=O)N1C(=O)OC(c2ccc(Cl)nc2)C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK7 P49862 6/20 0.37
GRM4 Q14833 1/20 0.37
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CETP P11597 4/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
KLK5 Q9Y337 5/20 0.33
RORC P51449 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 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
SCHEMBL7118804 0.87 CYP3A4 (0.39) KDM4EHSD17B10GRM4CYP3A4SMN1; SMN2
SCHEMBL6579476 0.85 KCNN4 (0.40) KDM4EKLK7KLK5RORCALDH1A1
SCHEMBL5749959 0.83 KLK7 (0.38) KDM4EKLK7CETPKLK5RORC
SCHEMBL5755094 0.74 CETP (0.37) KLK7CETPKLK5ALDH1A1PRSS1
SCHEMBL5750077 0.71 CETP (0.38) CYP3A4CETP
SCHEMBL5751613 0.70 KCNN4 (0.39) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5752174 0.70 CES2 (0.37) SMN1; SMN2RORC
SCHEMBL5749040 0.70 CYP3A4 (0.38) KDM4EHSD17B10GRM4CYP3A4SMN1; SMN2
SCHEMBL7116914 0.69 CES2 (0.34) KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5753504 0.67 HCRTR1 (0.37) KLK7CYP3A4CETPKLK5ALDH1A1

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KDM4E 244/4885HSD17B10 151/4885KLK7 4542/4885

“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.