SCHEMBL4597141

SCHEMBL4597141

CC(C)c1ccc(-c2cc(CC(=O)O)ccc2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
RXRA P19793 7/20 0.46
RXRB P28702 7/20 0.46
RXRG P48443 7/20 0.46
CA5A P35218 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.40
PPARD Q03181 1/20 0.40
GAA P10253 1/20 0.39
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.37
CTSA P10619 2/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL4597814 0.79 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597252 0.79 PPARD (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2127191 0.76 PPARD (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597574 0.76 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2731144 0.75 CA5A (0.72) RXRARXRBRXRGCA5APTGDR2
SCHEMBL3426928 0.75 CA5A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2255800 0.73 RXRA (0.52) RXRARXRBRXRGCA5APPARD
SCHEMBL27663943 0.71 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3418361 0.71 CA5A (0.49) RXRARXRBRXRGCA5APTGDR2
SCHEMBL12877661 0.71 FFAR1 (0.37) RXRARXRBRXRGPTGDR2

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 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.