SCHEMBL5759768

SCHEMBL5759768

OC(c1nccs1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
NR1H2 P55055 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
FBP1 P09467 2/20 0.33
PDK1 Q15118 1/20 0.33
NR1H3 Q13133 2/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32

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
SCHEMBL8682014 0.83 AR (0.52) ARNR1H2MEN1KMT2AMAPT
SCHEMBL6288482 0.79 AR (0.42) ARNR1H2MEN1KMT2AMAPT
SCHEMBL26229838 0.79 AR (0.40) ARNR1H2MEN1KMT2AMAPT
SCHEMBL27837232 0.78
SCHEMBL31478751 0.77 ALDH1A1 (0.39) ARNR1H2MEN1KMT2AMAPT
SCHEMBL577437 0.77
SCHEMBL22624207 0.75 AR (0.39) ARNR1H2MEN1KMT2AMAPT
SCHEMBL8682794 0.73 ALDH1A1 (0.40) ARNR1H2ALDH1A1TSHRNOS1
SCHEMBL30756417 0.73
SCHEMBL8447549 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157853-A1 GUT MICROBIOTA BIOACTIVATED PDE4 INHIBITOR PRECURSORS Giiant Pharma Inc. (CA) 2023-04-05 EP disclosed
EP-1272488-B1 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-22 EP disclosed
US-6841564-B2 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-01-11 US disclosed
US-6639077-B2 Ethanes substituted with a phenyl, a thiazole, and a pyridyl are phosphodiesterase (PDE4) inhibitors; leukotriene receptor antagonists MERCK FROSST CANADA & CO. (CA) 2003-10-28 US disclosed
US-20020173661-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA & CO. 2002-11-21 US disclosed
US-20020156105-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-24 US disclosed
US-6399636-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD), EOSINOPHILIC GRANULOMA, PSORIASIS AND SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN MERCK FROSST CANADA & CO. (CA) 2002-06-04 US disclosed
US-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-31 US 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 (3 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-20020173661-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A AR 213/4885NR1H2 2475/4885MEN1 3961/4885
US-20020156105-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A AR 213/4885NR1H2 2475/4885MEN1 3961/4885
US-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A AR 256/4885NR1H2 3042/4885MEN1 3632/4885

“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.