SCHEMBL5750055

SCHEMBL5750055

CC(F)(F)c1ccc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.35
CXCR5 P32302 1/20 0.35
BACE1 P56817 4/20 0.35
USP30 Q70CQ3 1/20 0.35
LMNA P02545 1/20 0.34
PSMB5 P28074 2/20 0.34
CNR1 P21554 2/20 0.34
CHRM2 P08172 2/20 0.34
MAPK10 P53779 1/20 0.34
BCHE P06276 1/20 0.34
PYGL P06737 1/20 0.34
BACE2 Q9Y5Z0 2/20 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
SCHEMBL5750588 0.93 MCHR1 (0.40) MCHR1ALDH1A1CXCR5BACE1USP30
SCHEMBL5750602 0.92 MCHR1 (0.49) MCHR1ALDH1A1CXCR5
SCHEMBL5750997 0.92 MCHR1 (0.49) MCHR1ALDH1A1CXCR5
SCHEMBL1900075 0.92 MCHR1 (0.49) MCHR1ALDH1A1CXCR5
SCHEMBL1900073 0.92 MCHR1 (0.49) MCHR1ALDH1A1CXCR5
SCHEMBL7122508 0.91 ALDH1A1 (0.41) MCHR1ALDH1A1CXCR5BACE1PSMB5
SCHEMBL5751588 0.90 BACE1 (0.37) MCHR1BACE1PSMB5BCHEBACE2
SCHEMBL5751803 0.88 MEN1 (0.38) MCHR1ALDH1A1CXCR5BACE1LMNA
SCHEMBL5751172 0.87 BACE1 (0.38) MCHR1ALDH1A1BACE1USP30LMNA
SCHEMBL5751502 0.87 ALDH1A1 (0.38) MCHR1ALDH1A1CXCR5BACE1PSMB5

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 MCHR1 1618/4885ALDH1A1 783/4885CXCR5 4765/4885

“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.