SCHEMBL9998609

SCHEMBL9998609

CCC(OC)(c1ccccc1)C(C)C(NS(C)(=O)=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
KCNN4 O15554 1/20 0.33
KCNH2 Q12809 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
MRGPRX2 Q96LB1 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 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
SCHEMBL9998967 0.91 SLC1A3 (0.34) CYP2D6CYP3A4CYP2C19CYP1A2CHRM3
SCHEMBL11530 0.76 CYP2D6 (0.40) CYP2D6CYP1A2CHRM3CHRM2CHRM1
SCHEMBL173484 0.69 CYP1A2 (0.42) CYP2D6CYP3A4CYP2C19CYP1A2KMT2A
SCHEMBL21401129 0.68 KCNH2 (0.38) CYP2D6CYP2C19CYP1A2CHRM3KCNN4
SCHEMBL4782888 0.67 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2CHRM3CHRM2
SCHEMBL4972971 0.63 KCNH2 (0.44) CYP2D6CYP2C19CYP1A2CHRM3KCNN4
SCHEMBL5995232 0.63 MAPT (0.43) CYP2D6CYP2C19CHRM3CHRM2CHRM1
SCHEMBL1074659 0.62 CA14 (0.42) MMP1MMP2MMP13CA12CA7
SCHEMBL158435 0.62 CA14 (0.42) MMP1MMP2MMP13CA12CA7
SCHEMBL1864824 0.62 CA14 (0.42) MMP1MMP2MMP13CA12CA7

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
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US disclosed
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 (4 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 SCN9A 2976/4885CYP2D6 18/4885CYP3A4 6/4885
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF CBR3, PFAS, PAH SCN9A 4201/4885CYP2D6 348/4885CYP3A4 100/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SCN9A 2976/4885CYP2D6 18/4885CYP3A4 6/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SCN9A 2976/4885CYP2D6 18/4885CYP3A4 6/4885

“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.