SCHEMBL7190686

SCHEMBL7190686

O=C(O)c1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
MCL1 Q07820 2/20 0.47
CYP2C9 P11712 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TTR P02766 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MPL P40238 1/20 0.46
WDR5 P61964 1/20 0.44
CYP1A2 P05177 2/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL29472291 1.00 CYP2D6 (0.50) CYP2D6MCL1CYP2C9HSD17B10TTR
SCHEMBL7517752 0.87 TTR (0.55) CYP2D6MCL1CYP2C9HSD17B10TTR
SCHEMBL16863997 0.84 MAPT (0.48) TTRCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL703189 0.83 TTR (0.61) HSD17B10TTRMPLCYP1A2LDHA
SCHEMBL29409575 0.83 TTR (0.61) HSD17B10TTRMPLCYP1A2LDHA
SCHEMBL4349196 0.83 TTR (0.46) CYP2D6MCL1HSD17B10TTRMPL
SCHEMBL7199165 0.83 MCL1 (0.46) MCL1CYP2C9HSD17B10NR4A1NR4A2
SCHEMBL7199578 0.83 MCL1 (0.63) MCL1CYP2C9HSD17B10NR4A1NR4A2
SCHEMBL6584925 0.81 TTR (0.44) CYP2D6MCL1CYP2C9HSD17B10TTR
SCHEMBL3129169 0.81 AURKA (0.50) CYP2D6HSD17B10TTRNR4A1NR4A2

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 5 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
US-4212813-A OXIDIZING ACENAPHTHENES, COBALT COMPOUND CATALYST NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-07-15 US disclosed
US-3939093-A 4-AMINO-1,8-NAPHTHALIC ACID IMIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 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 CYP2D6 1331/4885MCL1 3029/4885CYP2C9 588/4885

“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.