SCHEMBL16053306

SCHEMBL16053306

NS(=O)(=O)c1ccc(C(=O)N2C=C3CN(C(=O)OCc4ccc(OC(F)(F)F)cc4)C[C@@H]3C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.63
▸ ENPP2 Q13822 7/20 0.61
▸ ATXN2 Q99700 4/20 0.61
▸ DGAT2 Q96PD7 1/20 0.46
▸ CA1 P00915 8/20 0.40
▸ CA7 P43166 4/20 0.40
▸ CA12 O43570 3/20 0.40
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL16052857 1.00 CA2 (0.63) CA2ENPP2ATXN2DGAT2CA1
SCHEMBL16052634 0.89 ENPP2 (0.50) CA2ENPP2ATXN2DGAT2
SCHEMBL16052885 0.89 CA2 (0.53) CA2ENPP2ATXN2DGAT2CA1
SCHEMBL16053067 0.89 CA2 (0.66) CA2ENPP2ATXN2DGAT2CA1
SCHEMBL16053354 0.88 ENPP2 (0.53) CA2ENPP2ATXN2DGAT2LIPC
SCHEMBL16053296 0.88 ENPP2 (0.64) CA2ENPP2ATXN2DGAT2
SCHEMBL16053356 0.88 ENPP2 (0.72) CA2ENPP2ATXN2DGAT2LIPC
SCHEMBL16053620 0.87 CA2 (0.53) CA2ENPP2ATXN2DGAT2CA1
SCHEMBL16053316 0.84 CA2 (0.49) CA2ENPP2ATXN2DGAT2
SCHEMBL17363098 0.83 ENPP2 (0.48) CA2ENPP2ATXN2DGAT2

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 CA2 2616/4885ENPP2 1/4885ATXN2 233/4885
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA CA2 2874/4885ENPP2 1/4885ATXN2 305/4885
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA CA2 2874/4885ENPP2 1/4885ATXN2 305/4885

“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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