SCHEMBL5755285

SCHEMBL5755285

CCOC(=O)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(=O)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CETP P11597 11/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 1/20 0.36
PKM P14618 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL5751319 0.87 MAPK1 (0.41) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5752325 0.86 CETP (0.45) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5749378 0.85 MDM2 (0.48) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5755387 0.83 MDM2 (0.42) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5750278 0.83 CETP (0.48) MAPK1L3MBTL1TSHRTDP1CETP
SCHEMBL5751599 0.83 MAPK1 (0.41) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5750388 0.82 MAPK1 (0.42) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5752360 0.82 L3MBTL1 (0.41) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5753775 0.82 MAPK14 (0.47) MAPK1L3MBTL1TSHRTDP1CETP
SCHEMBL5753498 0.81 L3MBTL1 (0.47) MAPK1L3MBTL1TSHRTDP1ALDH1A1

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 MAPK1 2140/4885L3MBTL1 2527/4885TSHR 3729/4885

“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.