SCHEMBL5750834

SCHEMBL5750834

COc1ccc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.55
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
CA2 P00918 2/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
MCHR1 Q99705 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL5753315 0.91 CA2 (0.54) USP30CTSLCA2NOS3NOS1
SCHEMBL5751767 0.91 CA2 (0.54) USP30CTSLCA2NOS3NOS1
SCHEMBL5753338 0.87 USP30 (0.49) USP30CTSLCTSSCA2NOS3
SCHEMBL16452949 0.86 CA2 (0.68) CTSLCTSSCA2KMT2A
SCHEMBL5751645 0.85 UTS2R (0.50) USP30CTSLCA2NOS3NOS1
SCHEMBL5751462 0.84 USP30 (0.53) USP30CTSLCTSSCA2NOS3
SCHEMBL5750861 0.83 CTSL (0.46) USP30CTSLCA2NOS3NOS1
SCHEMBL5749737 0.83 PIN1 (0.60) CTSLCTSSCA2MCHR1
SCHEMBL5750953 0.82 ALDH1A1 (0.52) USP30CTSLCTSSCA2NOS3
SCHEMBL5751022 0.81 NOS3 (0.50) USP30CTSSCA2NOS3NOS1

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 USP30 1709/4885CTSL 2240/4885CTSS 3800/4885

“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.