SCHEMBL4597725

SCHEMBL4597725

O=C(O)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.60
PSEN2 P49810 2/20 0.60
APH1B Q8WW43 2/20 0.60
NCSTN Q92542 2/20 0.60
APH1A Q96BI3 2/20 0.60
PSENEN Q9NZ42 2/20 0.60
APP P05067 2/20 0.55
CYP2C8 P10632 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
BACE1 P56817 1/20 0.47
KDM1A O60341 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.43
MAP4K4 O95819 1/20 0.43
KIF11 P52732 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL4597367 0.83 APP (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597071 0.79 CYP2C8 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23588301 0.79 CES2 (0.56) KIF11CES2CES1SRD5A2
SCHEMBL4598147 0.79 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4596949 0.76 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597847 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10058719 0.75 RXRA (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5851713 0.75 CYP2C8 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13199251 0.75 GRB2 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23354157 0.74 KDM4E (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 PSEN1 2/4885PSEN2 1/4885APH1B 69/4885

“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.