SCHEMBL5504038

SCHEMBL5504038

O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 3/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.50
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2875807 0.88 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL2195057 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL2195060 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL23052019 0.82 DRD2 (0.48) ALDH1A1L3MBTL1HTTMAPK1
SCHEMBL23052029 0.81 CTSL (0.45) ALDH1A1L3MBTL1LMNAHPGDKMT2A
SCHEMBL5513327 0.79 HTT (0.59) ALDH1A1HTTMAPK1MAPTMCOLN3
SCHEMBL28820135 0.78 ALDH1A1 (0.97) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL3014050 0.78 HTT (0.53) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL2872994 0.77 HTT (0.56) ALDH1A1HTTMAPK1MAPTTP53
SCHEMBL15054025 0.77 HTT (0.49) ALDH1A1L3MBTL1HTTMAPK1MAPT

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 1779/4885L3MBTL1 3567/4885HTT 3945/4885

“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.