SCHEMBL9939093

SCHEMBL9939093

COC(=O)c1ccc(-c2cc3ccc(OCc4ccccc4)cc3cc2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.44
P2RY14 Q15391 1/20 0.43
AR P10275 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
IKBKB O14920 1/20 0.41
ALOX5 P09917 2/20 0.41
NR1H2 P55055 1/20 0.41
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL9939405 0.84 PTPN7 (0.52) PTPN7MRGPRX4P2RY14SMN1; SMN2MEN1
SCHEMBL9939319 0.82 PTPN7 (0.56) PTPN7MRGPRX4P2RY14SMN1; SMN2MEN1
SCHEMBL9939233 0.81 PTPN7 (0.55) PTPN7MRGPRX4P2RY14SMN1; SMN2MEN1
SCHEMBL9022881 0.81 P2RY14 (0.48) MRGPRX4P2RY14ARSMN1; SMN2MEN1
SCHEMBL3904126 0.78 FFAR4 (0.49) MRGPRX4SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28152490 0.77 ALOX5 (0.67) MRGPRX4SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL89330 0.77 LMNA (0.55) MRGPRX4SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1777985 0.76 ALOX5 (0.60) MRGPRX4P2RY14SMN1; SMN2MEN1KMT2A
SCHEMBL1779167 0.76 ALOX5 (0.59) MRGPRX4P2RY14SMN1; SMN2MEN1KMT2A
SCHEMBL6741308 0.76 EGFR (0.61) MAPTRAB9A

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 PTPN7 2754/4885MRGPRX4 2776/4885P2RY14 4423/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR PTPN7 2754/4885MRGPRX4 2776/4885P2RY14 4423/4885

“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.