SCHEMBL9998970

SCHEMBL9998970

CCC(NS(=O)(=O)CC)(C(N)=O)C(C)(COC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NR3C2 P08235 1/20 0.37
CYP2C19 P33261 2/20 0.34
KCNN4 O15554 2/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9998615 0.90 MAPT (0.38) MAPTKMT2ANR3C2CYP2C19KCNN4
SCHEMBL168185 0.82 MAPT (0.44) MAPTKMT2ANR3C2CYP2C19HIF1A
SCHEMBL173485 0.71 KMT2A (0.44) MAPTKMT2ANR3C2CYP2C19HIF1A
SCHEMBL5789160 0.69 MAPT (0.50) MAPTKMT2ACYP2C19KCNN4HIF1A
SCHEMBL11251 0.68 HTT (0.50) MAPTKMT2ACYP2C19KCNN4HIF1A
SCHEMBL6529365 0.68 MAPT (0.53) MAPTKMT2ACYP2C19KCNN4HIF1A
SCHEMBL27128493 0.66 KMT2A (0.43) MAPTKMT2AKCNN4HTTLMNA
SCHEMBL29882115 0.66 CHRM3 (0.50) MAPTKMT2AKCNN4HTTLMNA
SCHEMBL7348556 0.65 KMT2A (0.44) MAPTKMT2ANR3C2CYP2C19KCNN4
SCHEMBL27615947 0.64 MAPT (0.47) MAPTKMT2ACYP2C19KCNN4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885KMT2A 2374/4885NR3C2 318/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885KMT2A 2374/4885NR3C2 318/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885KMT2A 2374/4885NR3C2 318/4885

“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.