SCHEMBL7205025

SCHEMBL7205025

O=Cc1ccc(S(=O)(=O)Oc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTR6 P50406 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
GAA P10253 3/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HSD17B10 Q99714 3/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6099899 0.81 HTR6 (0.54) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL11577305 0.80 HTR6 (0.53) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL10881406 0.79 KMT2A (0.59) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL7538519 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL7535702 0.79 CYP2A6 (0.35) ALDH1A1KMT2AMEN1GAARAB9A
Formaldehyde SCHEMBL29278572 0.79 HTR6 (0.52) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL7191184 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1GAAESR1
SCHEMBL1548998 0.73 MEN1 (0.71) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL27549561 0.73 MEN1 (0.48) ALDH1A1HTR6KMT2AMEN1GAA
SCHEMBL28040872 0.72 KMT2A (0.50) ALDH1A1HTR6KMT2AMEN1GAA

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 ALDH1A1 1488/4885HTR6 2178/4885KMT2A 3439/4885

“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.