SCHEMBL976701

SCHEMBL976701

COc1c(-c2cc3ccccc3o2)ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 3/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 2/20 0.39
PTGES O14684 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36

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
SCHEMBL981581 0.90 PTGES2 (0.41) PTGES2CA1CA2CA9CA12
SCHEMBL979000 0.83 PTGES2 (0.46) PTGES2CA1CA2CA9CA12
SCHEMBL979515 0.81 PTGES2 (0.49) PTGES2CA1CA2CA9GAA
SCHEMBL979507 0.81 PTGES (0.54) PTGES2GAAPTGESALDH1A1HPGD
SCHEMBL977968 0.80 PTGES2 (0.52) PTGES2CA1CA2CA9CA12
SCHEMBL977003 0.80 PTGES (0.47) PTGES2CA1CA2CA9CA12
SCHEMBL978846 0.78 PTGES (0.49) PTGES2CA1CA2CA9CA12
SCHEMBL977520 0.78 PTGES (0.44) CA1CA2CA9CA12PTGES
SCHEMBL978661 0.77 PTGES2 (0.53) PTGES2CA1CA2CA9CA12
SCHEMBL979294 0.77 PTGES (0.51) PTGES2CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US claimed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP claimed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US claimed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO claimed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO claimed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US claimed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (3 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 PTGES2 28/4885CA1 3705/4885CA2 2723/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES2 26/4885CA1 3657/4885CA2 2840/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES2 26/4885CA1 3657/4885CA2 2840/4885

“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.