SCHEMBL16052913

SCHEMBL16052913

CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CC3=CN(C(=O)c4ccc(S(N)(=O)=O)cc4)C[C@H]3C2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.62
▸ ATXN2 Q99700 9/20 0.62
▸ CA2 P00918 8/20 0.41
▸ CA1 P00915 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ CA12 O43570 5/20 0.40
▸ CA7 P43166 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ CA4 P22748 2/20 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
SCHEMBL16961602 0.84 ATXN2 (0.53) ENPP2ATXN2
SCHEMBL16052911 0.83 ENPP2 (0.72) ENPP2ATXN2CA2CA1CA9
SCHEMBL16053306 0.78 CA2 (0.63) ENPP2ATXN2CA2CA1CA9
SCHEMBL16052857 0.78 CA2 (0.63) ENPP2ATXN2CA2CA1CA9
SCHEMBL15541183 0.77 ATXN2 (1.00) ENPP2ATXN2
SCHEMBL22957147 0.76 ATXN2 (0.61) ENPP2ATXN2CA2CA1CA9
SCHEMBL16053213 0.75 ENPP2 (0.60) ENPP2ATXN2CA2CA1CA9
SCHEMBL21485424 0.75 ENPP2 (0.60) ENPP2ATXN2CA2CA1CA9
SCHEMBL16053211 0.75 ENPP2 (0.60) ENPP2ATXN2CA2CA1CA9
SCHEMBL16962328 0.75 ENPP2 (0.42) ENPP2ATXN2

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 12 patents. 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
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 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-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-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 disclosed
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 disclosed
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 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-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 ENPP2 1/4885ATXN2 233/4885CA2 2616/4885
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA ENPP2 1/4885ATXN2 305/4885CA2 2874/4885
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA ENPP2 1/4885ATXN2 305/4885CA2 2874/4885

“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.

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