SCHEMBL5750694

SCHEMBL5750694

CC(C)(C)OC(=O)NC(Cc1cc(OC(F)(F)C(F)F)no1)C(O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
TSHR P16473 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
JAK2 O60674 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KLK5 Q9Y337 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 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
SCHEMBL5751180 0.79 CTSS (0.43) CTSSCTSKLMNAKLK5POLB
SCHEMBL5753923 0.76 DPP4 (0.31) TSHRLMNASMN1; SMN2
SCHEMBL5755604 0.74 KLK5 (0.44) CTSSCTSKTSHRLMNAALDH1A1
SCHEMBL5752054 0.73 CTSS (0.44) CTSSCTSKTSHRLMNAALDH1A1
SCHEMBL5751657 0.73 CTSS (0.38) CTSSCTSKTSHRLMNAMEN1
SCHEMBL5752684 0.70 CTSS (0.55) CTSSCTSKKLK5
SCHEMBL5751133 0.70 KLK5 (0.40) CTSSCTSKLMNAHTTATM
SCHEMBL5752754 0.70 KLK5 (0.42) CTSSCTSKLMNAATMKLK5
SCHEMBL7152442 0.69 TRPV3 (0.31) ALDH1A1
SCHEMBL5752895 0.69 TRPV3 (0.31) ALDH1A1

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 CTSS 3800/4885CTSK 4401/4885TSHR 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.