SCHEMBL5753753

SCHEMBL5753753

CC(F)(F)c1cccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
BACE1 P56817 10/20 0.34
BACE2 Q9Y5Z0 4/20 0.34
UGCG Q16739 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSL P07711 1/20 0.33
TACR1 P25103 2/20 0.33
CTSD P07339 6/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
S1PR2 O95136 1/20 0.31

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
SCHEMBL5751713 0.90 BACE1 (0.34) PTGER4BACE1BACE2UGCGCTSL
SCHEMBL5752139 0.88 BACE1 (0.39) PTGER4BACE1BACE2UGCGCTSL
SCHEMBL5751536 0.88 PTGER4 (0.38) PTGER4BACE1BACE2UGCGCTSD
SCHEMBL1900082 0.87 PTGER4 (0.38) PTGER4BACE1BACE2UGCGTACR1
SCHEMBL5752551 0.87 UGCG (0.33) PTGER4BACE1BACE2UGCG
SCHEMBL5754766 0.87 BACE1 (0.34) PTGER4BACE1BACE2UGCGCTSD
SCHEMBL5751109 0.87 UGCG (0.39) PTGER4BACE1BACE2UGCGCTSD
SCHEMBL5751900 0.86 UGCG (0.33) PTGER4BACE1BACE2UGCG
SCHEMBL5752436 0.86 BACE1 (0.38) PTGER4BACE1BACE2UGCGTACR1
SCHEMBL5751530 0.85 CETP (0.35) BACE1BACE2UGCG

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 2 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

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 1632/4885BACE1 835/4885BACE2 1392/4885

“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.