SCHEMBL3169019

SCHEMBL3169019

COC(=O)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
NPSR1 Q6W5P4 5/20 0.54
GAA P10253 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 4/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
XBP1 P17861 2/20 0.49
CES2 O00748 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
P2RX1 P51575 1/20 0.46
TP53 P04637 1/20 0.46
KCNN4 O15554 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL2246412 0.85 NPSR1 (0.49) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL31560866 0.83 NPSR1 (0.50) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL7780246 0.83 NPSR1 (0.50) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL3173332 0.83 KCNN4 (0.50) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3169504 0.82 EPHX2 (0.47) ALDH1A1MEN1KMT2ACES2KCNN4
SCHEMBL10334734 0.81 NPSR1 (0.49) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL20761764 0.80 SMN1; SMN2 (0.48) MAPTNPSR1GAASMN1; SMN2HTT
SCHEMBL3179064 0.79 KCNN4 (0.46) MAPTNPSR1HTTALDH1A1MEN1
Hydrochloric Acid SCHEMBL20743030 0.79 SMN1; SMN2 (0.47) MAPTNPSR1GAASMN1; SMN2ALDH1A1
SCHEMBL3172058 0.78 CES2 (0.55) MAPTNPSR1GAASMN1; SMN2HTT

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 MAPT 2785/4885NPSR1 370/4885GAA 2474/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 MAPT 2643/4885NPSR1 130/4885GAA 2340/4885

“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.