SCHEMBL1047598

SCHEMBL1047598

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C[S+]([O-])c3cccc4cccnc34)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CCR1 P32246 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SPR P35270 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 3/20 0.33
TSHR P16473 1/20 0.33
SYK P43405 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
LMNA P02545 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
SCHEMBL1044102 0.89 GAA (0.40) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL27975267 0.87 TRPV1 (0.33) GAATRPV1CYP1A2CYP3A4CYP2D6
SCHEMBL1047599 0.87 GAA (0.38) GAACCR1TRPV1CYP1A2CYP3A4
SCHEMBL1046909 0.85 KDM4E (0.41) GAACCR1TRPV1CYP1A2CYP3A4
SCHEMBL1046922 0.84 GAA (0.40) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL27975270 0.84 TRPV1 (0.30) TRPV1
SCHEMBL1046923 0.80 GAA (0.40) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1046643 0.80 GAA (0.47) GAACCR1SPRKDM4EPOLB
SCHEMBL1047445 0.80 GAA (0.39) GAACCR1SPRKDM4EPOLB
SCHEMBL1046910 0.80 GAA (0.40) GAACCR1CYP1A2CYP3A4CYP2D6

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-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
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 (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 2185/4885TRPV1 3281/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885TRPV1 3281/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885TRPV1 3281/4885

“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.