SCHEMBL976632

SCHEMBL976632

CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.67
CA1 P00915 8/20 0.66
CA2 P00918 8/20 0.66
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HDAC1 Q13547 1/20 0.51
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CA9 Q16790 1/20 0.48
HDAC3 O15379 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC11 Q96DB2 3/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL12949159 0.90 PTGES (0.65) PTGESCA1CA2LMNAMEN1
SCHEMBL12949253 0.86 LMNA (0.59) PTGESCA1CA2LMNAMEN1
SCHEMBL12949066 0.86 PTGES (0.61) PTGESCA1CA2LMNAMEN1
SCHEMBL12949067 0.86 PTGES (0.61) PTGESCA1CA2LMNAMEN1
SCHEMBL13850696 0.84 PTGES (0.65) PTGESCA1CA2LMNAMEN1
SCHEMBL978313 0.84 PTGES (0.68) PTGESCA1CA2LMNAMEN1
SCHEMBL979262 0.84 PTGES (0.72) PTGESCA1CA2LMNAMEN1
SCHEMBL979410 0.84 PTGES (0.68) PTGESCA1CA2LMNAMEN1
SCHEMBL13075399 0.83 CA1 (0.50) PTGESCA1CA2LMNAMEN1
SCHEMBL2905263 0.83 PTGES (0.49) PTGESCA1CA2LMNAMEN1

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
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
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
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
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
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-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
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 PTGES 9/4885CA1 3705/4885CA2 2723/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885CA1 3657/4885CA2 2840/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885CA1 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.