SCHEMBL969841

SCHEMBL969841

NS(=O)(=O)c1cc[c]nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.39
CA1 P00915 15/20 0.39
CA9 Q16790 14/20 0.39
CA12 O43570 13/20 0.39
CA5A P35218 8/20 0.39
CA7 P43166 8/20 0.39
CA5B Q9Y2D0 8/20 0.39
CA6 P23280 6/20 0.39
CA4 P22748 6/20 0.39
CA14 Q9ULX7 6/20 0.39
CA13 Q8N1Q1 3/20 0.39
CA3 P07451 3/20 0.39
PLA2G7 Q13093 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGO2 Q9UKV8 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL969061 0.78 ENPP2 (0.37)
SCHEMBL6242931 0.78 NAPRT (0.45) TSHRTDP1ALDH1A1
SCHEMBL20899284 0.75 ENPP2 (0.30)
SCHEMBL21173638 0.74 ALDH1A1 (0.39) ALDH1A1HTT
SCHEMBL20526118 0.74 SMN1; SMN2 (0.44) CA2CA1CA9CA12CA5A
SCHEMBL20554173 0.71 CYP2C9 (0.35) ALDH1A1
SCHEMBL19880 0.69 CA2 (0.55) CA2CA1CA9CA12CA5A
Water SCHEMBL28835117 0.69 CA2 (0.55) CA2CA1CA9CA12CA5A
SCHEMBL20553965 0.69 ALDH1A1 (0.38) CA2CA1CA9CA12TDP1
SCHEMBL20554204 0.67 THRB (0.42) CA2ALDH1A1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US claimed
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-09-13 US claimed
EP-2970256-A1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-01-20 EP claimed
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US claimed
WO-2014139978-A1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US claimed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-11-25 US claimed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US disclosed
EP-2970256-B1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-23 EP disclosed
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-09-13 US disclosed
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-11-25 US disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
EP-0286813-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-10-19 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 (6 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 CA2 1361/4885CA1 993/4885CA9 1026/4885
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 CA2 2616/4885CA1 2173/4885CA9 2810/4885
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA CA2 2874/4885CA1 2340/4885CA9 3077/4885
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CA2 3266/4885CA1 3392/4885CA9 4199/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 CA2 1173/4885CA1 1058/4885CA9 728/4885
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA CA2 2874/4885CA1 2340/4885CA9 3077/4885

“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.