SCHEMBL4139429

SCHEMBL4139429

CC(C)(C)N1C(=O)c2c(O)cccc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.36
CA12 O43570 5/20 0.36
CA2 P00918 3/20 0.36
ELANE P08246 3/20 0.35
MAOA P21397 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
ALOX15 P16050 4/20 0.34
HSD17B10 Q99714 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4139401 0.78 ELANE (0.42) CA9CA12CA2ELANEALDH1A1
SCHEMBL4133267 0.74 ELANE (0.39) CA9CA12CA2ELANEMAPT
SCHEMBL8550940 0.73 CA9 (0.59) CA9CA12CA2ELANETDP1
SCHEMBL3955979 0.71 HPGD (0.43) CA9CA12CA2ELANEMAOA
SCHEMBL7306492 0.71 ELANE (0.57) CA9CA12CA2ELANEKDM4E
SCHEMBL17191865 0.70 PTGDR2 (0.38) CA9CA12CA2CA1KDM4E
SCHEMBL3947691 0.68 HTT (0.44) ALDH1A1MAPTHSD17B10TDP1HPGD
SCHEMBL7335719 0.68 PTGDR2 (0.44) CA9CA12CA2MAOAMAOB
SCHEMBL7387523 0.67 ELANE (0.48) CA9CA12CA2ELANEALDH1A1
SCHEMBL2000895 0.65 CA9 (0.50) CA9CA12CA2ELANEALDH1A1

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-20090069317-A1 Insecticidal Methods Using 3-Amino-1,2-Benzisothiazole Derivatives BASF SE (DE) 2009-03-12 US disclosed
EP-1954138-A2 INSECTICIDAL METHODS USING 3-AMINO-1,2-BENZISOTHIAZOLE DERIVATIVES BASF SE (DE) 2008-08-13 EP disclosed
WO-2007057407-A2 INSECTICIDAL METHODS USING 3-AMINO-1,2-BENZISOTHIAZOLE DERIVATIVES BASF SE (DE) 2007-05-24 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-20090069317-A1 Insecticidal Methods Using 3-Amino-1,2-Benzisothiazole Derivatives AAAS, API5, ATL3 CA9 4595/4885CA12 4730/4885CA2 1891/4885

“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.