SCHEMBL7189936

SCHEMBL7189936

O=C(O)c1ccccc1S(=O)(=O)CBr

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.66
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
CA12 O43570 7/20 0.51
CA9 Q16790 7/20 0.51
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
FABP4 P15090 3/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47

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
SCHEMBL5724579 0.82 TSHR (0.68) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL11797264 0.81 SMN1; SMN2 (0.66) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL2576800 0.81 SMN1; SMN2 (0.66) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL312941 0.79 TSHR (1.00) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL10590325 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL10425170 0.78 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL19617695 0.78 TSHR (0.62) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL4071143 0.78 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL10944695 0.78 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCA1CA2MMP1
SCHEMBL34748 0.78 BCAT2 (0.62) SMN1; SMN2TSHRCA1CA2MMP1

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 SMN1; SMN2 2971/4885TSHR 4831/4885CA1 1889/4885

“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.