SCHEMBL3781004

SCHEMBL3781004

Nc1cc(I)ccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.50
CA1 P00915 12/20 0.50
CA9 Q16790 8/20 0.50
CA4 P22748 7/20 0.50
CA12 O43570 7/20 0.50
CA6 P23280 6/20 0.50
CA5A P35218 6/20 0.50
CA7 P43166 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CYP2C9 P11712 1/20 0.50
CA3 P07451 1/20 0.45
TET2 Q6N021 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.37
RAD51 Q06609 1/20 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
SCHEMBL389306 0.83 CA1 (0.50) CA2CA1CA9CA4CA12
SCHEMBL6938613 0.81 TTR (0.41) CA2CA1CA9CA4CA12
SCHEMBL1413156 0.77 CA2 (0.54) CA2CA1CA9CA4CA12
SCHEMBL31028702 0.77 TET2 (0.50) CA2CA1CA9CA4CA12
SCHEMBL3534519 0.77 CA1 (0.48) CA2CA1CA9CA4CA12
SCHEMBL2777606 0.77 TET2 (0.50) CA2CA1CA9CA4CA12
SCHEMBL8360359 0.77 PDIA6 (0.51) CA2CA1CA9CA12CA6
SCHEMBL1806178 0.76 CA2 (0.63) CA2CA1CA9CA4CA12
SCHEMBL7950820 0.74 CA2 (0.50) CA2CA1CA9CA4CA12
SCHEMBL30714245 0.74 CA2 (0.50) CA2CA1CA9CA4CA12

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-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-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
EP-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
EP-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
CN-101945859-A Bis-(sulfonylamino) derivatives in therapy ASTRAZENECA AB 2011-01-12 CN 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
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
EP-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO 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
US-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 ASTRAZENECA AB (SE) 2009-06-25 US disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
WO-1993021171-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 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 (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 CA2 2435/4885CA1 3346/4885CA9 3411/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 CA2 2457/4885CA1 3319/4885CA9 3189/4885

“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.