SCHEMBL23061349

SCHEMBL23061349

CC(C)c1cc(C(F)(F)F)cc(S(=O)(=O)C2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
TACR1 P25103 1/20 0.35
CCR6 P51684 5/20 0.34
EPHX1 P07099 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 3/20 0.33
ELANE P08246 1/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
KDR P35968 2/20 0.32
CDK4 P11802 1/20 0.32
S1PR1 P21453 1/20 0.32
STS P08842 1/20 0.32
ELOVL6 Q9H5J4 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
SCHEMBL21610777 0.79 PTGS2 (0.37)
SCHEMBL21610807 0.78 ALDH1A1 (0.36) TACR1GAA
SCHEMBL8486996 0.73 HTR2C (0.45) TACR1CNR1
SCHEMBL437277 0.72 TACR1 (0.42) TACR1S1PR1
SCHEMBL10629252 0.72 TACR1 (0.39) TACR1S1PR1
SCHEMBL17806594 0.71 AKR1C3 (0.41) KCNH2HPGDELOVL6
SCHEMBL10207483 0.71 PTGS2 (0.40) EPHX1CNR1ELOVL6
SCHEMBL11951572 0.70 MCOLN3 (0.51) GAACNR1ELOVL6
SCHEMBL18353236 0.69 NOTUM (0.43) TACR1CNR1
SCHEMBL21610758 0.69 TACR1 (0.36) KCNH2TACR1S1PR1

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-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
WO-2021037614-A1 PESTICIDALLY ACTIVE PYRAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-03-04 WO 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 (1 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-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS DDT, ACHE, NIT2 KCNH2 538/4885TACR1 2209/4885CCR6 4807/4885

“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.