SCHEMBL5508919

SCHEMBL5508919

CN(C1CCCCC1)S(=O)(=O)c1cccc(-c2[nH]c3ccccc3c2CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGDR2 Q9Y5Y4 5/20 0.47
▸ PTGDR Q13258 4/20 0.47
▸ FNTA P49354 5/20 0.47
▸ FNTB P49356 5/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TBXA2R P21731 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 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
SCHEMBL5512259 0.90 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1KMT2AFNTA
SCHEMBL5621583 0.84 GAA (0.46) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL5509134 0.84 GAA (0.46) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL5510950 0.81 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AGAAMTNR1A
SCHEMBL5512640 0.81 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1KMT2AMCOLN3
SCHEMBL5512918 0.76 FNTA (0.41) KDM4EALDH1A1PTGDR2PTGDRFNTA
SCHEMBL5510992 0.75 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1KMT2AMCOLN3
SCHEMBL5512691 0.73 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1KMT2AFNTA
SCHEMBL5510592 0.73 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AGAA
SCHEMBL5514925 0.72 MAPT (0.41) KDM4EALDH1A1PTGDR2GAATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US claimed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 — — EP claimed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 — — WO claimed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 — — EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 — — 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 KDM4E 4109/4885MEN1 4654/4885ALDH1A1 1779/4885

“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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