SCHEMBL829381

SCHEMBL829381

Cc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
GABRB3 P28472 1/20 0.36
CES2 O00748 3/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XBP1 P17861 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
RIPK1 Q13546 1/20 0.32
CACNA1H O95180 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21701241 0.88 NOTUM (0.34) NOTUM
SCHEMBL12535480 0.86 GABRB3 (0.40) NOTUMGABRB3CES2MAPTRAPGEF4
SCHEMBL3190814 0.84 CES2 (0.40) NOTUMCES2MAPTRAPGEF4CACNA1H
SCHEMBL10104516 0.82 RAPGEF4 (0.38) NOTUMGABRB3CES2MAPTRAPGEF4
SCHEMBL10104495 0.80 HTT (0.37) NOTUMMAPTNPSR1RAPGEF4ALDH1A1
SCHEMBL13550134 0.79 RAPGEF4 (0.39) NOTUMCES2RAPGEF4CACNA1HCACNA1C
SCHEMBL22866837 0.78 NOTUM (0.36) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL5734053 0.78 GABRB3 (0.36) NOTUMGABRB3CES2RAPGEF4RIPK1
SCHEMBL29560549 0.78 NOTUM (0.36) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL5667400 0.77 CES2 (0.36) NOTUMGABRB3CES2MAPTNPSR1

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-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
EP-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US 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 (3 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES NOTUM 3852/4885GABRB3 2499/4885CES2 4067/4885
US-20110081727-A1 Oxidation Resistant Indicator Molecules AOX1, GPX4, SQOR NOTUM 1626/4885GABRB3 482/4885CES2 381/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR NOTUM 1626/4885GABRB3 482/4885CES2 381/4885

“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.