SCHEMBL5753487

SCHEMBL5753487

O=C(NC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1)c1cccc2c(Cl)cccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
P2RX7 Q99572 6/20 0.36
DGAT2 Q96PD7 3/20 0.36
THRB P10828 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
BACE1 P56817 4/20 0.33
CCR1 P32246 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL5751747 0.89 MCHR1 (0.34) DGAT2CTSVCTSLCTSBCTSS
SCHEMBL5750353 0.86 DGAT2 (0.36) MAPTP2RX7DGAT2THRBCTSV
SCHEMBL5750976 0.86 CETP (0.38) MAPTP2RX7DGAT2THRBBACE1
SCHEMBL5754762 0.85 DGAT2 (0.36) MAPTP2RX7DGAT2THRBCTSV
SCHEMBL5751322 0.83 ITGB1 (0.41) MAPTP2RX7DGAT2
SCHEMBL5754301 0.80 ITGB1 (0.38) MAPTP2RX7DGAT2THRBBACE1
SCHEMBL5754766 0.78 BACE1 (0.34) BACE1BACE2
SCHEMBL5749779 0.77 CETP (0.40) BACE1
SCHEMBL5755604 0.77 KLK5 (0.44) CTSLCTSBCTSSBACE1
SCHEMBL5753763 0.77 MCHR1 (0.40) P2RX7DGAT2

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 MAPT 2688/4885P2RX7 4828/4885DGAT2 206/4885

“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.