SCHEMBL5512640

SCHEMBL5512640

COC(=O)C(=O)c1c(-c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MCOLN3 Q8TDD5 2/20 0.45
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 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
SCHEMBL5512259 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5510725 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ATP53LMNA
SCHEMBL5508919 0.81 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5508167 0.75 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5510992 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5510540 0.73 BRD4 (0.48) MEN1KMT2ATP53HTT
SCHEMBL14367890 0.73 ALDH1A1 (0.59) ALDH1A1MAPT
SCHEMBL5511872 0.72 BRD4 (0.52) ALDH1A1MCOLN3TP53HTTSMN1; SMN2
SCHEMBL4180150 0.72 TLR8 (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL2875900 0.72 BRD4 (0.48) ALDH1A1MEN1KMT2AMCOLN3TP53

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-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 ALDH1A1 1779/4885KDM4E 4109/4885MEN1 4654/4885

“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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