SCHEMBL5411150

SCHEMBL5411150

COc1ncnc2c1cc(I)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ ALDH3A1 P30838 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL5413878 0.82 NOD1 (0.39) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL14427711 0.82 L3MBTL1 (0.39) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL1777233 0.81 PTGDR2 (0.42) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL14427681 0.80 ALDH3A1 (0.40) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL1749156 0.77 PTGDR2 (0.46) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL5411086 0.76 L3MBTL1 (0.50) L3MBTL1ALDH3A1HTTNOD1POLB
SCHEMBL16340138 0.75 ABL1 (0.36) L3MBTL1ALDH3A1HTTNOD1POLB
SCHEMBL1749021 0.75 PTGDR2 (0.44) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL1354451 0.75 PTGDR2 (0.44) L3MBTL1PTGDR2ALDH3A1HTTNOD1
SCHEMBL13014031 0.75 PTGDR2 (0.44) L3MBTL1PTGDR2ALDH3A1HTTNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259154-B2 Anticancer agents; asthma; rhintis; vision disorders; skin disorders; antiarthritic agents; antiinflammatory agents; antiallergens AVENTIS PHARMACEUTICALS INC. (US) 2007-08-21 — — US disclosed
US-20040142947-A1 Pyrrolopyrimidines AVENTIS PHARMACEUTICALS, INC. 2004-07-22 — — US disclosed
EP-1404676-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-04-07 — — EP disclosed
WO-2003000695-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-01-03 — — 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-20040142947-A1 Pyrrolopyrimidines DPYD, TYMP, PNPO L3MBTL1 3350/4885PTGDR2 772/4885ALDH3A1 309/4885

“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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