SCHEMBL5754087

SCHEMBL5754087

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.40
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
GAA P10253 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
GRM5 P41594 4/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
DAO P14920 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.34
KIF11 P52732 1/20 0.34
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5750184 0.91 MDM2 (0.40) MDM2GAAGRM5MEN1KMT2A
SCHEMBL5751029 0.89 MDM2 (0.47) MDM2GAAGRM5DAO
SCHEMBL5752398 0.89 MDM2 (0.41) MDM2GAAGRM5DAO
SCHEMBL5752541 0.89 MDM2 (0.41) MDM2GAAGRM5DAO
SCHEMBL5754080 0.82 RXFP1 (0.43) MDM2GAATP53MEN1KMT2A
SCHEMBL5752506 0.82 MDM2 (0.43) MDM2TNKSTNKS2GAAPARP3
SCHEMBL5753852 0.81 GRM5 (0.36) MDM2GRM5DAO
SCHEMBL5750872 0.81 MDM2 (0.41) MDM2GAAGRM5DAO
SCHEMBL5753095 0.81 MDM2 (0.43) MDM2GRM5DAO
SCHEMBL5750832 0.80 MAOA (0.42) MDM2GRM5

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 3868/4885TNKS 4544/4885TNKS2 4639/4885

“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.