SCHEMBL22955258

SCHEMBL22955258

CCCC(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KIF11 P52732 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CNR2 P34972 2/20 0.43
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 2/20 0.40
HSD11B1 P28845 2/20 0.39
MMP1 P03956 2/20 0.39
CNR1 P21554 1/20 0.39
LSS P48449 1/20 0.38
EEF2K O00418 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL14241912 0.86 KIF11 (0.46) BCHEACHEKIF11ALDH1A1CA1
SCHEMBL24590166 0.80 ALDH1A1 (0.47) BCHEACHEALDH1A1CA1CA2
SCHEMBL18650033 0.79 BCHE (0.48) BCHEACHEKIF11ALDH1A1CNR2
SCHEMBL24590292 0.79 PLCG1 (0.44) ALDH1A1CA1CA2CYP19A1MMP1
SCHEMBL18852692 0.78 PSIP1 (0.48) ALDH1A1CA1CA2HSD11B1SMN1; SMN2
SCHEMBL10147798 0.77 ALDH1A1 (0.69) BCHEACHEKIF11ALDH1A1CA1
SCHEMBL24590372 0.75 CA12 (0.51) ALDH1A1CA1CA2SMN1; SMN2
SCHEMBL10146059 0.74 KIF11 (0.48) BCHEACHEKIF11ALDH1A1CA1
SCHEMBL12013127 0.74 RORC (0.54) BCHEACHEKIF11CA1CA2
SCHEMBL22951407 0.72 ALDH1A1 (0.44) BCHEACHEALDH1A1CNR2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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 (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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 BCHE 1043/4885ACHE 412/4885KIF11 2448/4885

“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.