SCHEMBL977985

SCHEMBL977985

COc1cccc(-c2cc3cc(C(=O)NS(=O)(=O)c4ccccc4S(N)(=O)=O)ccc3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
PTGES O14684 2/20 0.46
PTGES2 Q9H7Z7 2/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PLAU P00749 2/20 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
SCHEMBL978370 0.91 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL976561 0.87 PTGES (0.53) HDAC6MAOBPTGESPTGES2CA1
SCHEMBL981401 0.83 PTGES (0.52) HDAC6MAOBMAOAPTGESMAPT
SCHEMBL978555 0.81 PTGES (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13024485 0.80 PTGES2 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL979416 0.79 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL978358 0.78 PTGES2 (0.59) HDAC6HDAC2MAOBPTGESPTGES2
SCHEMBL979513 0.78 PTGES (0.47) HDAC6PTGESMAPTTP53BCAT1
SCHEMBL976844 0.78 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL979507 0.77 PTGES (0.54) MAOBPTGESPTGES2MAPTTP53

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 18 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
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
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 HDAC6 3409/4885HDAC3 1983/4885HDAC1 2889/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 HDAC6 3831/4885HDAC3 2511/4885HDAC1 2735/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 HDAC6 3831/4885HDAC3 2511/4885HDAC1 2735/4885

“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.