SCHEMBL2117466

SCHEMBL2117466

Cc1ccc(S(=O)(=O)n2cc(I)cc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ FOLH1 Q04609 1/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ ALK Q9UM73 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ADORA2A P29274 1/20 0.41

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
SCHEMBL6828202 0.84 MAPT (0.46) MAPTLMNAOPRM1OPRD1NOD2
SCHEMBL6828215 0.84 MAPT (0.51) MAPTLMNAOPRM1OPRD1NOD2
SCHEMBL6828344 0.83 MAPT (0.44) MAPTLMNAOPRM1OPRD1NOD2
SCHEMBL3360534 0.81 CYP2C9 (0.41) MAPTLMNANOD2NOD1L3MBTL1
SCHEMBL6828206 0.81 MAPT (0.47) MAPTLMNAOPRM1OPRD1NOD2
SCHEMBL25015538 0.76 OPRM1 (0.57) MAPTLMNAOPRM1OPRD1FOLH1
SCHEMBL6828214 0.76 MGLL (0.46) MAPTOPRM1OPRD1
SCHEMBL6828522 0.75 THRB (0.45) MAPTLMNAOPRM1OPRD1PSEN1
SCHEMBL6422004 0.73 NOD2 (0.53) LMNANOD2NOD1L3MBTL1KDM4E
SCHEMBL7424793 0.72 MAPT (0.48) MAPTLMNAOPRM1OPRD1

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
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 — — US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 — — US disclosed
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — 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 (2 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 MAPT 1856/4885LMNA 2490/4885OPRM1 3599/4885
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE MAPT 3987/4885LMNA 2980/4885OPRM1 2627/4885

“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.

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