SCHEMBL4139401

SCHEMBL4139401

COc1cccc2c1C(=O)N(C(C)(C)C)S2(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.42
TOP1 P11387 1/20 0.38
FBP1 P09467 1/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 2/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL9858521 0.78 ELANE (0.44) ELANETOP1FBP1CA2CA9
SCHEMBL4139429 0.78 CA9 (0.36) ELANETOP1CA2CA9MEN1
SCHEMBL3952641 0.75 ELANE (0.52) ELANETOP1FBP1ALDH1A1MAPT
SCHEMBL7278505 0.75 ELANE (0.53) ELANECA12TDP1HTR2A
SCHEMBL3947295 0.72 HTT (0.45) ELANEMEN1KMT2AMAPTLMNA
SCHEMBL6990377 0.71 CA12 (0.58) ELANECA2CA9CA1CA12
SCHEMBL8668867 0.71 DRD2 (0.49) ELANECA9CA12HTR2A
SCHEMBL8550940 0.70 CA9 (0.59) ELANECA2CA9KMT2ACA1
SCHEMBL7288998 0.69 ELANE (0.66) ELANE
SCHEMBL19834255 0.69 CA12 (0.52) ELANECA9ALDH1A1CA12KDM4E

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 ELANE 2006/4885TOP1 1659/4885FBP1 1684/4885

“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.