SCHEMBL2858243

SCHEMBL2858243

COC(=O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
SRD5A2 P31213 1/20 0.47
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
CFTR P13569 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLQ O75417 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP26A1 O43174 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL24875503 0.84 EPHX2 (0.43) KDM4EPOLQNOTUMALDH1A1TDP1
SCHEMBL15524132 0.83 PPARG (0.44) PPARGPPARDPPARACFTRMAPT
SCHEMBL2946105 0.83 HTT (0.53) MAPTPOLQNOTUMLMNAALDH1A1
SCHEMBL20576236 0.83 HDAC3 (0.53) PPARGPPARDPPARAMAPTHDAC3
SCHEMBL29331520 0.83 RXRA (0.51) PPARGPPARDPPARACFTRMAPT
SCHEMBL14420158 0.82 ALDH1A1 (0.43) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL6864787 0.82 CES2 (0.55) CES2SRD5A2KDM4EPOLQMEN1
SCHEMBL27757329 0.81 ANO1 (0.49) PPARGPPARDPPARACFTRMAPT
SCHEMBL18075562 0.81 IDO1 (0.50) PPARGPPARDPPARACFTRMAPT
SCHEMBL5574328 0.80 CES2 (0.53) CES2SRD5A2KDM4EPOLQALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 US disclosed
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP CES2 1340/4885SRD5A2 4379/4885PPARG 1182/4885

“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.