SCHEMBL3408447

SCHEMBL3408447

NS(=O)(=O)c1ccc(CN=C=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 1.00
CA2 P00918 15/20 0.55
CA1 P00915 11/20 0.55
TRPA1 O75762 2/20 0.53
CA9 Q16790 7/20 0.52
CA12 O43570 6/20 0.52
CA7 P43166 5/20 0.52
CA4 P22748 4/20 0.52
CA6 P23280 4/20 0.52
CA5A P35218 4/20 0.52
CA14 Q9ULX7 4/20 0.52
CA5B Q9Y2D0 4/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL12867054 0.82 MIF (0.70) MIFCA2CA1TRPA1CA9
SCHEMBL13123444 0.81 MIF (0.69) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL28839087 0.80 MIF (0.66) MIFCA2CA1CA9CA12
SCHEMBL2141861 0.79 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13667799 0.79 MIF (0.65) MIFCA2CA1CA9CA12
SCHEMBL3665119 0.76 MIF (0.61) MIFCA2CA1CA9CA12
SCHEMBL28839002 0.74 MIF (0.58) MIFCA2CA1CA9CA12
SCHEMBL28839005 0.74 MIF (0.58) MIFCA2CA1CA9CA12
SCHEMBL8763362 0.73 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8000894 0.72 CA2 (0.67) MIFCA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
EP-1421935-A1 Thiourea carbonic anhydrase inhibitors and their use in treatment of glaucoma Casini, Angela (IT) 2004-05-26 EP 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MIF 277/4885CA2 2160/4885CA1 4782/4885
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 MIF 4374/4885CA2 7/4885CA1 3/4885

“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.