SCHEMBL4597071

SCHEMBL4597071

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.65
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
SRD5A2 P31213 2/20 0.58
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
MAP4K4 O95819 1/20 0.56
KDM1A O60341 1/20 0.56
APP P05067 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
P2RY14 Q15391 2/20 0.49
SLC6A2 P23975 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL2268521 0.85 CYP2C8 (0.60) CYP2C8PSEN1PSEN2APH1BNCSTN
SCHEMBL2428750 0.85 CYP2C8 (0.56) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL5937246 0.84 CYP2C8 (0.58) CYP2C8PSEN1PSEN2APH1BNCSTN
SCHEMBL27867340 0.83 TP53 (0.55) CYP2C8SRD5A2RXRARXRB
SCHEMBL6264068 0.82 AKR1C3 (0.54) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL21274227 0.82 AKR1C3 (0.64) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL27883746 0.81 TP53 (0.52) CYP2C8SRD5A2RXRARXRB
SCHEMBL505133 0.81 SRD5A2 (0.77) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL5171097 0.81 PSEN1 (0.51) CYP2C8PSEN1PSEN2APH1BNCSTN
SCHEMBL5171104 0.81 PSEN1 (0.51) CYP2C8PSEN1PSEN2APH1BNCSTN

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 4 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
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO 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 CYP2C8 1257/4885PSEN1 2/4885PSEN2 1/4885

“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.