SCHEMBL9939378

SCHEMBL9939378

COc1ccc2c(F)c(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
TRPA1 O75762 1/20 0.39
RAD52 P43351 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9938388 0.85 SLC2A1 (0.41) SLC2A1TRPA1RAD52L3MBTL1KDM4E
SCHEMBL4698652 0.85 SLC2A1 (0.41) SLC2A1TRPA1RAD52L3MBTL1KDM4E
SCHEMBL1360283 0.84 SLC2A1 (0.43) SLC2A1RAD52L3MBTL1KDM4EHSD11B1
SCHEMBL8499219 0.82 L3MBTL1 (0.50) L3MBTL1KDM4EHSD11B1SMN1; SMN2LMNA
SCHEMBL1180547 0.82 MTNR1A (0.44) SLC2A1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL15283286 0.82 ABCC8 (0.43) SLC2A1RAD52L3MBTL1KDM4EHSD11B1
SCHEMBL1304599 0.82 MTNR1A (0.41) L3MBTL1KDM4EHSD11B1MTNR1AMTNR1B
Trifluoromethanesulfonic Acid SCHEMBL8052264 0.81 SLC2A1 (0.43) SLC2A1RAD52KDM4EHSD11B1PTGS2
SCHEMBL5980992 0.80 GAA (0.43) L3MBTL1SMN1; SMN2LMNAHTTCYP1A2
SCHEMBL18198487 0.80 LCK (0.48) L3MBTL1KDM4ESMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 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 (2 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-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR SLC2A1 1267/4885TRPA1 2042/4885RAD52 3279/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR SLC2A1 1267/4885TRPA1 2042/4885RAD52 3279/4885

“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.