SCHEMBL830036

SCHEMBL830036

CCOC(=O)c1[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc2c1-c1cccnc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 6/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 4/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43

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
SCHEMBL386125 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL862239 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL829854 0.84 GABRA1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL832047 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL829516 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL829884 0.82 GAA (0.49) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL828877 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL388750 0.81 MEN1 (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL383862 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL12890683 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS 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 (1 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885KDM4E 1061/4885HPGD 2591/4885

“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.