SCHEMBL16759783

SCHEMBL16759783

CS(=O)(=O)c1cc(C(=O)O)cnc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 4/20 0.45
CNR2 P34972 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
RXRA P19793 2/20 0.38
EPHX2 P34913 3/20 0.37
CA2 P00918 1/20 0.36
HNF4A P41235 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL16759786 0.87 PTGS2 (0.44) L3MBTL1PTGS2CNR2GPBAR1SCN5A
SCHEMBL28298289 0.81 ALDH1A1 (0.45) L3MBTL1PTGS2CNR2EGLN1RXRA
SCHEMBL2715676 0.80 L3MBTL1 (0.54) L3MBTL1PTGS2CNR2GPBAR1SCN9A
SCHEMBL16759924 0.79 SCN9A (0.43) PTGS2GPBAR1SCN9ACA2
SCHEMBL2715678 0.79 L3MBTL1 (0.52) L3MBTL1PTGS2GPBAR1SCN5ARXRA
SCHEMBL2716927 0.79 L3MBTL1 (0.55) L3MBTL1PTGS2RXRACA2HNF4A
SCHEMBL2716074 0.79 L3MBTL1 (0.55) L3MBTL1RXRAEPHX2HNF4AMRGPRX4
SCHEMBL2718882 0.78 L3MBTL1 (0.51) L3MBTL1PTGS2CNR2RXRACA2
SCHEMBL439221 0.77 L3MBTL1 (0.54) L3MBTL1PTGS2GPBAR1RXRAEPHX2
SCHEMBL14762361 0.77 L3MBTL1 (0.54) L3MBTL1PTGS2GPBAR1RXRAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
CN-105764905-B Novel octahydro-cyclobutadieno [1, 2-c; 3, 4-c' ] dipyrrole-2-yl 豪夫迈·罗氏有限公司 2019-06-07 CN disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 US disclosed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-3074400-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 US disclosed
WO-2015078803-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 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 (4 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 L3MBTL1 2060/4885PTGS2 1257/4885CNR2 167/4885
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 L3MBTL1 2060/4885PTGS2 1257/4885CNR2 167/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 L3MBTL1 2060/4885PTGS2 1257/4885CNR2 167/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 L3MBTL1 2015/4885PTGS2 1303/4885CNR2 180/4885

“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.