SCHEMBL4087720

SCHEMBL4087720

O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.76
KMT2A Q03164 9/20 0.76
ADORA3 P0DMS8 1/20 0.65
SLC6A3 Q01959 1/20 0.65
AKR1C2 P52895 2/20 0.60
AKR1C1 Q04828 2/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
ALB P02768 1/20 0.58
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
MAPT P10636 3/20 0.54
ABL1 P00519 1/20 0.54
TSHR P16473 1/20 0.54
RIN1 Q13671 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL4105084 0.95 MEN1 (0.84) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL4100942 0.91 MEN1 (0.74) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL4100021 0.91 MEN1 (0.74) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL7450555 0.86 MEN1 (1.00) MEN1KMT2AADORA3SLC6A3MAPT
SCHEMBL6349464 0.86 MEN1 (0.70) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL6350610 0.86 MEN1 (0.69) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL6351450 0.86 MEN1 (0.67) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL4098345 0.86 MEN1 (0.67) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL4094571 0.84 MEN1 (0.65) MEN1KMT2AADORA3SLC6A3AKR1C2
SCHEMBL6357037 0.84 ALB (0.70) MEN1KMT2AADORA3SLC6A3ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM PHARMA A/S (DK) 2005-12-08 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 MEN1 2859/4885KMT2A 2570/4885ADORA3 457/4885

“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.