SCHEMBL902999

SCHEMBL902999

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 14/20 0.57
DGAT1 O75907 1/20 0.57
P2RX7 Q99572 4/20 0.56
P2RX4 Q99571 3/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
JUN P05412 1/20 0.53
P2RX3 P56373 1/20 0.50
TMPRSS4 Q9NRS4 4/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RUVBL1 Q9Y265 1/20 0.47

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
SCHEMBL898802 0.93 DGAT1 (0.53) P2RX1DGAT1P2RX7P2RX4NFKB1
SCHEMBL14927270 0.92 DGAT1 (0.52) P2RX1DGAT1P2RX7P2RX4NFKB1
SCHEMBL898265 0.88 P2RX1 (0.57) P2RX1P2RX7P2RX4NFKB1NFKB2
SCHEMBL899044 0.88 TMPRSS4 (0.57) P2RX1DGAT1P2RX7P2RX4TMPRSS4
SCHEMBL898645 0.86 ALDH1A1 (0.63) P2RX1DGAT1P2RX7P2RX4NFKB1
SCHEMBL14927268 0.86 DGAT1 (0.56) DGAT1MAPTKDM4EALDH1A1HPGD
SCHEMBL902905 0.86 KDM4E (0.48) P2RX1DGAT1P2RX7P2RX4NFKB1
SCHEMBL14930776 0.86 P2RX1 (0.61) P2RX1DGAT1P2RX7P2RX4TMPRSS4
SCHEMBL17470404 0.84 P2RX1 (0.53) P2RX1P2RX7P2RX4NFKB1NFKB2
SCHEMBL898584 0.82 TMPRSS4 (0.50) P2RX1DGAT1P2RX7P2RX4TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576532-B1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-07-18 EP disclosed
US-9663483-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2017-05-30 US disclosed
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC 2016-01-28 US disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
US-8722731-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2014-05-13 US disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 US disclosed
WO-2011156321-A9 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2012-04-05 WO disclosed
WO-2011156321-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2011-12-15 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 (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-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, EIF4A1 P2RX1 3876/4885DGAT1 3432/4885P2RX7 3882/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 P2RX1 3867/4885DGAT1 3272/4885P2RX7 3870/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 P2RX1 3867/4885DGAT1 3272/4885P2RX7 3870/4885

“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.