SCHEMBL5751657

SCHEMBL5751657

CC(C)(C)OC(=O)NC(Cc1cnc(C(F)(F)F)s1)C(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY2 P41231 1/20 0.34
KLK5 Q9Y337 2/20 0.33
S1PR3 Q99500 1/20 0.33
SCN9A Q15858 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 1/20 0.33
PTPRB P23467 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL5752274 0.76 EPHX2 (0.35) CYP2C9CYP2C19EPHX2CYP2J2
SCHEMBL5751647 0.74 HDAC6 (0.31) CYP2C9CYP2C19EPHX2CYP2J2
SCHEMBL5750694 0.73 CTSS (0.37) CTSSCTSKMEN1LMNATSHR
SCHEMBL5752684 0.71 CTSS (0.55) CTSSCTSKKLK5EPHX2
SCHEMBL5752054 0.71 CTSS (0.44) CTSSCTSKLMNATSHRKLK5
SCHEMBL5755604 0.70 KLK5 (0.44) CTSSCTSKLMNATSHRKLK5
SCHEMBL30695649 0.70 CTSS (0.45) CTSSCTSKMEN1LMNATSHR
SCHEMBL14923554 0.70 CTSS (0.45) CTSSCTSKMEN1LMNATSHR
SCHEMBL5751180 0.69 CTSS (0.43) CTSSCTSKLMNAKLK5
SCHEMBL2694372 0.68 CTSS (0.46) CTSSCTSKTRPA1

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 4401/4885MEN1 2847/4885

“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.