SCHEMBL3169504

SCHEMBL3169504

COC(=O)C(O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CFTR P13569 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNN4 O15554 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RORC P51449 1/20 0.41
KIF11 P52732 1/20 0.41
HDAC3 O15379 1/20 0.41
ADAM17 P78536 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL3169534 0.84 RAB9A (0.44) MEN1KMT2AKCNN4NPC1MAPK1
SCHEMBL3169019 0.82 MAPT (0.54) CES2MEN1KMT2AKCNN4RAB9A
SCHEMBL3170384 0.82 TDP1 (0.47) MEN1KMT2AKCNN4NPC1RAB9A
SCHEMBL1625320 0.80 CNR1 (0.47) EPHX2CES2CES1CFTRKCNN4
SCHEMBL11841428 0.80 MEN1 (0.66) MEN1KMT2AKCNN4NPC1MAPK1
SCHEMBL3180051 0.80 MAPT (0.51) EPHX2CES2CES1MEN1KMT2A
SCHEMBL1870824 0.79 KCNN4 (0.67) MEN1KMT2AKCNN4ALDH1A1
SCHEMBL17978759 0.76 KCNN4 (0.56) MEN1KMT2AKCNN4NPC1MAPK1
SCHEMBL27972787 0.76 KCNN4 (0.42) CES2CES1MEN1KMT2AKCNN4
SCHEMBL697018 0.74 KIF11 (0.56) EPHX2CES2CES1CFTRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 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 (2 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 EPHX2 1845/4885CES2 337/4885CES1 383/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 EPHX2 2593/4885CES2 470/4885CES1 568/4885

“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.