SCHEMBL1047445

SCHEMBL1047445

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C[S+]([O-])c3nnnn3-c3ccccc3)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CCR1 P32246 4/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
SPR P35270 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL28795471 0.87 GAA (0.32) GAACCR1KDM4EPOLBTSHR
SCHEMBL1047433 0.87 ALDH1A1 (0.45) GAACCR1KDM4EPOLBTSHR
SCHEMBL1046420 0.85 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL28795472 0.85
SCHEMBL27974954 0.83 DPP4 (0.31) SPRDPP4
SCHEMBL1044102 0.83 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL1775261 0.80 POLB (0.46) GAACCR1KDM4EPOLBTSHR
SCHEMBL1047598 0.80 GAA (0.39) GAACCR1KDM4EPOLBTSHR
SCHEMBL1046643 0.79 GAA (0.47) GAACCR1KDM4EPOLBTSHR
SCHEMBL1047599 0.79 GAA (0.38) GAACCR1KDM4EPOLBTSHR

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 3 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-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 (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-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885KDM4E 2882/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885KDM4E 2882/4885

“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.