SCHEMBL5753489

SCHEMBL5753489

CC(C)C(F)(F)Cc1ccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
PTGDR Q13258 2/20 0.37
ADRB3 P13945 7/20 0.36
ADRB1 P08588 5/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
SLC2A1 P11166 3/20 0.35
PSMB5 P28074 1/20 0.35
ADRB2 P07550 5/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BACE1 P56817 1/20 0.34
SMO Q99835 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
SCHEMBL5754506 0.90 ADRB3 (0.37) ADRB3ADRB1CTSVCTSLCTSB
SCHEMBL5752397 0.89 SMO (0.35) PTGER4PTGDRADRB3ADRB1CTSV
SCHEMBL5755168 0.89 CTSV (0.37) PTGER4PTGDRADRB3ADRB1CTSV
SCHEMBL5752027 0.86 FFAR2 (0.37) ADRB3ADRB1CTSVCTSLCTSB
SCHEMBL1897805 0.85 BACE1 (0.39) PTGER4PTGDRADRB3ADRB1CTSV
SCHEMBL5751447 0.83 CTSV (0.36) PTGER4PTGDRADRB3ADRB1CTSV
SCHEMBL5754364 0.83 CNR1 (0.40) ADRB3ADRB1SLC2A1ADRB2ADRA1D
SCHEMBL5751364 0.81 BACE1 (0.41) PTGER4PTGDRCTSVCTSLCTSB
SCHEMBL5749680 0.81 KLK5 (0.45) ADRB3ADRB1CTSLSLC2A1ADRB2
SCHEMBL5749506 0.80 ADRB3 (0.37) ADRB3ADRB1CTSVCTSLCTSB

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 PTGER4 1632/4885PTGDR 2861/4885ADRB3 85/4885

“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.