SCHEMBL5752438

SCHEMBL5752438

O=C(NC(Cc1ccc(CC(F)(F)C(F)(F)F)cc1)C(O)c1cccc(Cl)c1)c1cccc2c1C=CCCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.36
MAPK1 P28482 1/20 0.32
PYGL P06737 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CNR2 P34972 1/20 0.30
PTGER4 P35408 1/20 0.30
CTSV O60911 1/20 0.30
CTSS P25774 1/20 0.30
ANO1 Q5XXA6 1/20 0.30
BACE1 P56817 2/20 0.30
PSMB5 P28074 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
SCHEMBL5752652 0.91 CTSL (0.38) CTSLPYGLCNR2PTGER4CTSV
SCHEMBL5752403 0.88 CTSL (0.36) CTSLCNR2PTGER4PSMB5
SCHEMBL5752534 0.87 CTSL (0.38) CTSLCNR2PTGER4CTSVCTSS
SCHEMBL5751398 0.85 CNR1 (0.37) CTSLCNR2
SCHEMBL5751663 0.83 CTSL (0.39) CTSLPTGER4CTSVCTSSBACE1
SCHEMBL5748991 0.83 UGCG (0.36) CTSLCNR2PTGER4
SCHEMBL2139706 0.82 OPRM1 (0.37) PTGER4BACE1
SCHEMBL5750071 0.80 CTSL (0.37) CTSLCNR2PTGER4
SCHEMBL5752146 0.80 CTSL (0.37) CTSLMAPK1PTGER4CTSVCTSS
SCHEMBL5752397 0.79 SMO (0.35) CTSLPYGLPTGER4CTSVCTSS

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 CTSL 2240/4885MAPK1 2140/4885PYGL 501/4885

“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.