SCHEMBL2893446

SCHEMBL2893446

O=S(=O)(Br)c1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA6 P23280 3/20 0.39
CA4 P22748 2/20 0.39
PLCG1 P19174 1/20 0.37
GAA P10253 1/20 0.36
HTR6 P50406 3/20 0.35
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CYP2C9 P11712 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA14 Q9ULX7 1/20 0.34
ITGAV P06756 1/20 0.34
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL8779786 0.81 CA1 (0.48) CA1CA2CA6CA4PLCG1
SCHEMBL1682100 0.79 GAA (0.50) CA1CA2CA6CA4PLCG1
SCHEMBL9745397 0.77 GAA (0.37) CA1CA2CA6CA4PLCG1
SCHEMBL7430693 0.77 GAA (0.37) CA1CA2CA6CA4PLCG1
SCHEMBL1471236 0.75 CA2 (0.56) CA1CA2CA6CA4GAA
SCHEMBL2887767 0.75 ELANE (0.48) CA1CA2CA6CA4PLCG1
SCHEMBL745249 0.75 ALDH1A1 (0.44) CA1CA2CA6CA4PLCG1
SCHEMBL29566694 0.75 TSHR (0.44) CA1CA2CA6CA4GAA
SCHEMBL7990343 0.75 GAA (0.36) CA1CA2CA6CA4PLCG1
SCHEMBL648702 0.75 BCAT2 (0.40) CA1CA2CA6CA4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932244-A Salts of 2-lodo-n-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl] benzol sulphonamide, method for its manufacture and its application as herbicide and plant growth regulator BAYER CROPSCIENCE AG 2010-12-29 CN disclosed
US-20100285964-A1 SALTS OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3, 5-TRIAZINE-2-YL) CARBAMOYL] BENZENESULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYERCROPSCIENCE AG (DE) 2010-11-11 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-20100285964-A1 SALTS OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3, 5-TRIAZINE-2-YL) CARBAMOYL] BENZENESULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS MYB, INMT, AS3MT CA1 2602/4885CA2 333/4885CA6 301/4885

“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.