SCHEMBL5755641

SCHEMBL5755641

CC(C)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 10/20 0.36
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
EPHX1 P07099 1/20 0.36
DAO P14920 2/20 0.34
MDM2 Q00987 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL5752506 0.87 MDM2 (0.43) GRM5EPHX1DAOMDM2
SCHEMBL5751222 0.86 GRM5 (0.34) GRM5EPHX1DAOMDM2
SCHEMBL5754626 0.83 HCRTR1 (0.37) GRM5DAO
SCHEMBL5755829 0.82 EPHX1 (0.34) GRM5EPHX1DAOMDM2
SCHEMBL5751029 0.81 MDM2 (0.47) GRM5DAOMDM2
SCHEMBL5753852 0.81 GRM5 (0.36) GRM5DAOMDM2
SCHEMBL5751179 0.80 DAO (0.43) GRM5DAO
SCHEMBL5754424 0.79 GRM5 (0.35) GRM5MDM2
SCHEMBL5751945 0.79 DAO (0.35) GRM5DAOMDM2
SCHEMBL5753180 0.78 MMP13 (0.41) GRM5DAO

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 ATM 3113/4885L3MBTL1 2527/4885GRM5 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.