SCHEMBL5753746

SCHEMBL5753746

O=C1NC(Cc2ccc(OC(F)(F)C(F)F)cc2)C(c2ccc(F)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.37
CETP P11597 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
GRM5 P41594 4/20 0.33
AR P10275 1/20 0.32
DAO P14920 1/20 0.31
GAA P10253 1/20 0.31
GSK3B P49841 1/20 0.31
ADK P55263 1/20 0.31

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
SCHEMBL5751660 0.90 CETP (0.44) CETPHCRTR1HCRTR2GRM5DAO
SCHEMBL5753095 0.90 MDM2 (0.43) MDM2HCRTR1HCRTR2GRM5AR
SCHEMBL5755895 0.86 CETP (0.35) MDM2CETPHCRTR1HCRTR2GRM5
SCHEMBL5751029 0.84 MDM2 (0.47) MDM2GRM5DAOGAA
SCHEMBL5752031 0.83 MDM2 (0.36) MDM2GRM5GSK3BADK
SCHEMBL5751867 0.83 GRM5 (0.32) MDM2GRM5GAA
SCHEMBL5754080 0.82 RXFP1 (0.43) MDM2GAA
SCHEMBL5752451 0.82 CETP (0.37) CETPHCRTR1HCRTR2DAO
SCHEMBL5751034 0.82 CETP (0.43) CETP
SCHEMBL5752408 0.81 KDM1A (0.44) MDM2GRM5DAO

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-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
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 MDM2 3868/4885CETP 1/4885HCRTR1 1956/4885

“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.