SCHEMBL9987935

SCHEMBL9987935

FC(F)(F)c1ccc(Oc2ccc(I)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
LTA4H P09960 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 2/20 0.41
SCN9A Q15858 2/20 0.41
MAPK14 Q16539 1/20 0.41
SCN5A Q14524 1/20 0.41
KIF11 P52732 3/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL25520536 0.89 TRPV1 (0.39) TRPV1LTA4HCA1CA2CA9
SCHEMBL3671300 0.88 APP (0.40) TRPV1LTA4HCA1CA2CA9
SCHEMBL11148692 0.88 CA1 (0.52) LTA4HCA1CA2CA9PDE4A
SCHEMBL1685383 0.88 CA1 (0.52) LTA4HCA1CA2CA9PDE4A
SCHEMBL29377645 0.85 LTA4H (0.50) LTA4HCA1CA2CA9PDE4A
SCHEMBL1616 0.85 TRPV1 (0.55) TRPV1KIF11ALDH1A1TSHR
SCHEMBL25191871 0.83 TRPV1 (0.53) TRPV1KIF11ALDH1A1TSHR
Phosphine SCHEMBL28192244 0.83 TRPV1 (0.53) TRPV1KIF11ALDH1A1TSHR
SCHEMBL3679342 0.83 APP (0.37) TRPV1LTA4HCA1CA2CA9
SCHEMBL10706950 0.83 ESR1 (0.45) TRPV1LTA4HCA1CA2CA9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-09-26 US disclosed
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-09-26 US disclosed
US-10202344-B2 Aryl substituted indoles and the use thereof PURDUE PHARMA L.P. (US) 2019-02-12 US disclosed
US-10202344-B2 Aryl substituted indoles and the use thereof PURDUE PHARMA L.P. (US) 2019-02-12 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2016-11-10 US disclosed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US disclosed
US-9212139-B2 Aryl substituted indoles and their use as blockers of sodium channels PURDUE PHARMA, L.P. (US) 2015-12-15 US disclosed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP disclosed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
US-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels PURDUE PHARMA L.P. (US) 2013-11-07 US disclosed
EP-2582666-A2 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS Purdue Pharma L.P. (US) 2013-04-24 EP disclosed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 WO disclosed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 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 (5 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-20130296281-A1 Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels SCN5A, TRPV1, TRPV5 TRPV1 2/4885LTA4H 664/4885CA1 1691/4885
US-20160326111-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 TRPV1 3/4885LTA4H 577/4885CA1 1362/4885
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 TRPV1 3/4885LTA4H 577/4885CA1 1362/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 TRPV1 3/4885LTA4H 577/4885CA1 1362/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 TRPV1 3/4885LTA4H 577/4885CA1 1362/4885

“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.