SCHEMBL3564650

SCHEMBL3564650

NCc1ccc2c(c1)NS(=O)(=O)CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.37
CD274 Q9NZQ7 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NSD2 O96028 1/20 0.32
NR3C2 P08235 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL10208304 0.84 PARP1 (0.54) PARP1GAAPKMDRD2DRD4
SCHEMBL13594193 0.77 PARP1 (0.38) PARP1TAAR1
SCHEMBL4967078 0.77 MMP12 (0.51) GAACA12CA1CA2CA4
SCHEMBL1333843 0.76 CA12 (0.40) CA12CA1CA2CA4CA7
SCHEMBL4964383 0.76 FABP6 (0.37) NR3C2CA12CA1CA2CA4
SCHEMBL4967657 0.72 CA12 (0.44) GAANR3C2CA12CA9
SCHEMBL13343876 0.71 PARP1 (0.38) PARP1CD274TAAR1GAAPKM
SCHEMBL4967297 0.71 KEAP1 (0.37) GAAPKMCA12CA1CA2
SCHEMBL351961 0.70 PARP1 (0.72) PARP1NR3C2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8967934 0.69 KEAP1 (0.36) GAAPKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
EP-2094671-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-02 EP disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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 (1 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 156/4885CD274 1325/4885TAAR1 4510/4885

“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.