SCHEMBL5750184

SCHEMBL5750184

CC(F)(F)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.40
GAA P10253 1/20 0.36
GRM5 P41594 8/20 0.35
CES2 O00748 1/20 0.32
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5754087 0.91 MDM2 (0.40) MDM2GAAGRM5MEN1KMT2A
SCHEMBL5752398 0.90 MDM2 (0.41) MDM2GAAGRM5CES2
SCHEMBL5752541 0.90 MDM2 (0.41) MDM2GAAGRM5CES2
SCHEMBL5751029 0.88 MDM2 (0.47) MDM2GAAGRM5
SCHEMBL5753852 0.87 GRM5 (0.36) MDM2GRM5
SCHEMBL5753095 0.82 MDM2 (0.43) MDM2GRM5
SCHEMBL5754080 0.81 RXFP1 (0.43) MDM2GAAMEN1KMT2A
SCHEMBL5752506 0.81 MDM2 (0.43) MDM2GAAGRM5
SCHEMBL5750872 0.80 MDM2 (0.41) MDM2GAAGRM5
SCHEMBL5750594 0.80 MAOB (0.43) GRM5CES2

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 3868/4885GAA 3065/4885GRM5 2869/4885

“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.