SCHEMBL4149675

SCHEMBL4149675

O=S1(=O)N=C(Cl)c2c(Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.46
GRK5 P34947 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CXCR2 P25025 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CXCR1 P25024 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KCNA3 P22001 1/20 0.33
CES1 P23141 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8285729 0.81 RET (0.43) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL2449016 0.81 CXCR2 (0.38) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL10911011 0.81 CA12 (0.33) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL2564355 0.81 RET (0.43) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL13903578 0.77 RET (0.40) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL4129036 0.77 HSD17B10 (0.48) CXCR2CA1CA2CA9CA7
SCHEMBL13903576 0.77 TSHR (0.44) RETGRK5TYRO3DYRK1BALDH1A1
SCHEMBL10167427 0.74 LMNA (0.39) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL13903591 0.74 RET (0.38) RETGRK5TYRO3DYRK1BCXCR2
SCHEMBL13903622 0.74 RET (0.38) RETGRK5TYRO3DYRK1BCXCR2

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-20090069317-A1 Insecticidal Methods Using 3-Amino-1,2-Benzisothiazole Derivatives BASF SE (DE) 2009-03-12 US disclosed
US-4590192-A ANTIULCER AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-20 US disclosed
EP-0033984-B1 NEW SULPHONYL COMPOUNDS, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS APHICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-06-06 EP disclosed
EP-0105732-A2 Histamine H2 receptor antagonists of the benzisothiazole amino and benzthiadiazine amino series BEECHAM GROUP PLC (GB) 1984-04-18 EP disclosed
US-4379157-A Sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-04-05 US disclosed
EP-0033984-A1 New sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-08-19 EP 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 RET 4018/4885GRK5 1421/4885TYRO3 1294/4885

“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.