SCHEMBL13012005

SCHEMBL13012005

CCOS(=O)(=O)/C=C/c1cc(Br)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TNFRSF1A P19438 1/20 0.46
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 3/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13639446 0.83 PTPN1 (0.44) PTGES2PTPN1CYP1A2
SCHEMBL3785094 0.80 PTGES2 (0.54) PTGES2MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3785092 0.80 PTGES2 (0.54) PTGES2MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3774945 0.75 PTGES2 (0.50) PTGES2MAPTLMNAL3MBTL1PTPN1
SCHEMBL3774948 0.75 PTGES2 (0.50) PTGES2MAPTLMNAL3MBTL1PTPN1
SCHEMBL3782484 0.74 PTPN1 (0.71) PTPN1MAOB
SCHEMBL10050048 0.74 MAPT (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL3782486 0.74 PTPN1 (0.71) PTPN1MAOB
SCHEMBL2389149 0.72 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL3327236 0.72 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
US-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 ASTRAZENECA AB (SE) 2009-06-25 US disclosed
US-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 ASTRAZENECA AB (SE) 2009-06-25 US 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 (2 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-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 PTGER1, SULT2A1, SULT1E1 PTGES2 30/4885MAPT 1401/4885KDM4E 2275/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 PTGES2 25/4885MAPT 1535/4885KDM4E 3160/4885

“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.