SCHEMBL13979

SCHEMBL13979

CC(C)NC(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
DGAT1 O75907 1/20 0.48
EPHX2 P34913 1/20 0.48
P2RY1 P47900 2/20 0.47
ANPEP P15144 1/20 0.47
ALDH1A1 P00352 1/20 0.47
IDH1 O75874 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY2 P41231 1/20 0.44
P2RY14 Q15391 1/20 0.44
IDH2 P48735 1/20 0.44
LPAR1 Q92633 1/20 0.44
CXCR2 P25025 1/20 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
SCHEMBL12780378 0.85 MDM4 (0.54) GAADGAT1EPHX2P2RY1ALDH1A1
SCHEMBL14853356 0.83 ALDH1A1 (0.59) GAADGAT1EPHX2P2RY1ALDH1A1
SCHEMBL19449467 0.81 ANPEP (0.66) GAAANPEPALDH1A1KMT2AMEN1
SCHEMBL74975 0.81 ANPEP (0.62) ANPEPKMT2AMEN1
SCHEMBL74974 0.81 ANPEP (0.62) ANPEPKMT2AMEN1
SCHEMBL14850118 0.81 GAA (0.52) GAADGAT1EPHX2P2RY1ALDH1A1
Benzene SCHEMBL11580795 0.80 ANPEP (0.64) ANPEPALDH1A1KMT2AMEN1POLB
SCHEMBL5643498 0.80 GAA (0.55) GAAEPHX2P2RY1ALDH1A1IDH1
SCHEMBL5962103 0.80 POLB (0.56) GAAEPHX2P2RY1ALDH1A1KMT2A
SCHEMBL13480590 0.79 GAA (0.55) GAAEPHX2P2RY1ALDH1A1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (2 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE GAA 9/4885DGAT1 2734/4885EPHX2 1950/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE GAA 9/4885DGAT1 2734/4885EPHX2 1950/4885

“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.