SCHEMBL376853

SCHEMBL376853

O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.47
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
S1PR4 O95977 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA5A P35218 1/20 0.40
HPGD P15428 1/20 0.39
PDE7A Q13946 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL8616810 0.85 HSPB1 (0.51) HSPB1ALDH1A1HIF1AMAPTMAPK1
SCHEMBL5578046 0.82 HTT (0.53) ALDH1A1HIF1AL3MBTL1MAPTMAPK1
SCHEMBL8756394 0.81 HSPB1 (0.49) HSPB1ALDH1A1HIF1AS1PR4L3MBTL1
SCHEMBL27792279 0.80 HSPB1 (0.48) HSPB1ALDH1A1HIF1AS1PR4L3MBTL1
SCHEMBL6268161 0.80 PDE4A (0.39) HSPB1ALDH1A1HIF1AMAPTMAPK1
SCHEMBL8772712 0.78 KMT2A (0.39) HSPB1ALDH1A1L3MBTL1MAPTPDE4A
SCHEMBL8643566 0.78 HSPB1 (0.51) HSPB1ALDH1A1HIF1AS1PR4L3MBTL1
SCHEMBL6686530 0.77 POLB (0.45) ALDH1A1L3MBTL1MAPTMAPK1LMNA
SCHEMBL31305332 0.77 EPAS1 (0.50) HSPB1L3MBTL1TDP1
SCHEMBL37687 0.77 CA1 (0.62) HSPB1ALDH1A1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170863-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-06-21 US disclosed
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
WO-2013171729-A2 ARYL AND HETEROARYL AMIDE COMPOUNDS AS RORGAMAT MODULATOR GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-21 WO disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 HSPB1 3971/4885ALDH1A1 2482/4885HIF1A 1852/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 HSPB1 3567/4885ALDH1A1 1792/4885HIF1A 806/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT HSPB1 4032/4885ALDH1A1 800/4885HIF1A 1101/4885
US-20180170863-A1 ROR GAMMA (RORY) MODULATORS RORB, RORA, RORC HSPB1 2052/4885ALDH1A1 687/4885HIF1A 661/4885

“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.