SCHEMBL3329005

SCHEMBL3329005

CC(C)(C)OC(=O)Nc1cc(Cl)cc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.41
SCN9A Q15858 1/20 0.40
PTGER1 P34995 2/20 0.39
ATR Q13535 1/20 0.38
CCR2 P41597 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPKAPK2 P49137 2/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
LCK P06239 3/20 0.36
GAA P10253 1/20 0.35
CYP17A1 P05093 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
KLKB1 P03952 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3327320 0.89 SCN9A (0.40) SCN9APTGER1ATRCCR2CYP2C9
SCHEMBL23107362 0.86 LCK (0.43) S1PR2SCN9AGSK3BDYRK1ALCK
SCHEMBL10130018 0.84 S1PR2 (0.50) S1PR2SCN9AGSK3BDYRK1ALCK
SCHEMBL31248850 0.84 ATR (0.45) S1PR2SCN9APTGER1ATRCYP2C9
SCHEMBL16147173 0.84 ATR (0.45) S1PR2SCN9APTGER1ATRCYP2C9
SCHEMBL29703935 0.83 SCN9A (0.40) S1PR2SCN9AGSK3BDYRK1ALCK
SCHEMBL31235341 0.83 LCK (0.39) SCN9APTGER1ATRCYP2C9MAPKAPK2
SCHEMBL21590399 0.81 CYP1A2 (0.41) SCN9APTGER1ATRCYP2C9GSK3B
SCHEMBL2470714 0.78 CYP17A1 (0.45) S1PR2ATRMAPKAPK2LCKCYP17A1
SCHEMBL29955764 0.78 ATR (0.40) SCN9APTGER1ATRCYP2C9MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177519-B1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO (JP) 2015-05-27 EP disclosed
US-9029552-B2 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2015-05-12 US disclosed
US-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2014-01-02 US disclosed
EP-2669282-A1 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2013-12-04 EP disclosed
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2010-06-03 US disclosed
EP-2177519-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-04-21 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-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, BROX, TTI2 S1PR2 2881/4885SCN9A 2254/4885PTGER1 4381/4885
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, H1-10, HAX1 S1PR2 2819/4885SCN9A 934/4885PTGER1 977/4885

“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.