SCHEMBL1046641

SCHEMBL1046641

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CSC34CC5CC(CC(C5)C3)C4)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CCR1 P32246 1/20 0.40
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
SPR P35270 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL1046371 0.86 GAA (0.42) GAACCR1LMNATP53L3MBTL1
SCHEMBL13523714 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL1044110 0.83 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL2580001 0.82 GAA (0.49) GAACCR1LMNATP53L3MBTL1
Hydrochloric Acid SCHEMBL1228510 0.81 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL2509441 0.81 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL13169907 0.81 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL20801744 0.80 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1228464 0.80 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1775261 0.80 POLB (0.46) GAACCR1LMNAKDM4EPOLB

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-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP 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-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885LMNA 2081/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885LMNA 2081/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885LMNA 2081/4885

“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.