SCHEMBL7536504

SCHEMBL7536504

O=S(=O)(O)c1cc(O)c2ccccc2c1S(=O)(=O)O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPL P40238 7/20 0.57
LDHA P00338 1/20 0.47
CYP2D6 P10635 1/20 0.45
CTRC Q99895 1/20 0.44
HKDC1 Q2TB90 2/20 0.44
TRPM4 Q8TD43 1/20 0.44
CDK2 P24941 1/20 0.43
NSD2 O96028 1/20 0.42
MMP14 P50281 1/20 0.42
CASP6 P55212 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42

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
SCHEMBL4810070 0.98 MPL (0.58) MPLLDHACYP2D6CTRCHKDC1
SCHEMBL11507947 0.83 MPL (0.58) MPLLDHACYP2D6CTRCHKDC1
SCHEMBL27999180 0.82 MPL (0.49) MPLCYP2D6CTRCNSD2MMP14
SCHEMBL13851155 0.82 MPL (0.53) MPLLDHACYP2D6HKDC1TRPM4
SCHEMBL29575461 0.82 MPL (0.53) MPLLDHACYP2D6HKDC1TRPM4
SCHEMBL10033898 0.81 MPL (0.60) MPLLDHACTRCHKDC1TRPM4
SCHEMBL27566003 0.79 CDK2 (0.53) MPLLDHACYP2D6HKDC1CDK2
Ammonia Solution, Strong SCHEMBL25197168 0.79 MPL (0.58) MPLLDHACTRCHKDC1TRPM4
SCHEMBL5246088 0.79 AURKB (0.53) MPLCYP2D6CTRCCDK2NSD2
SCHEMBL11414363 0.79 MPL (0.67) MPLLDHACTRCHKDC1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 MPL 4856/4885LDHA 1723/4885CYP2D6 1331/4885

“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.