SCHEMBL5752895

SCHEMBL5752895

O=C(O)NC(Cc1cccc(OC(F)(F)C(F)F)n1)C(O)c1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.31
CNR2 P34972 3/20 0.31
UGCG Q16739 1/20 0.31
P2RX7 Q99572 3/20 0.31
CNR1 P21554 1/20 0.31
APLNR P35414 2/20 0.30
NR3C1 P04150 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP2J2 P51589 1/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL7152442 1.00 TRPV3 (0.31) TRPV3CNR2UGCGP2RX7CNR1
SCHEMBL5753376 0.84 PTGDR2 (0.31) TRPV3P2RX7EPHX2
SCHEMBL5755172 0.79 UGCG (0.31) UGCG
SCHEMBL5747760 0.71 EPHX2 (0.34) KDM4EALDH1A1CYP2C9CYP2C19EPHX2
SCHEMBL7173132 0.69 CETP (0.41)
SCHEMBL5749945 0.69 CETP (0.41)
SCHEMBL7123267 0.69 CETP (0.38)
SCHEMBL5750069 0.69 CETP (0.41) ALDH1A1
SCHEMBL5750694 0.69 CTSS (0.37) ALDH1A1
SCHEMBL5752076 0.69 NOS3 (0.44) CNR2UGCG

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 TRPV3 3126/4885CNR2 485/4885UGCG 740/4885

“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.