SCHEMBL351941

SCHEMBL351941

O=C(NC1=CC(=O)C2OC2C1OC(=O)C(F)(F)F)c1ncccc1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.40
EGLN2 Q96KS0 1/20 0.36
FTO Q9C0B1 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36
GRM4 Q14833 10/20 0.35
PIM1 P11309 1/20 0.35
PARK7 Q99497 1/20 0.33

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
SCHEMBL352567 0.87 BRD4 (0.39) PARK7
Trifluoroacetic Acid SCHEMBL351940 0.81 PARK7 (0.42) TLR7EGLN2FTOCSF1RRET
SCHEMBL351888 0.80 PARK7 (0.46) TLR7EGLN2FTOCSF1RRET
SCHEMBL352373 0.78 EGLN1 (0.40) PARK7
SCHEMBL16649994 0.77 SSTR4 (0.32)
SCHEMBL16649748 0.76 PARK7 (0.43) TLR7EGLN2FTOCSF1RRET
SCHEMBL168258 0.76 KLKB1 (0.39) PARK7
SCHEMBL351942 0.76 PARK7 (0.45) PARK7
SCHEMBL354623 0.70 KDM4E (0.39) TLR7EGLN2FTOCSF1RRET
SCHEMBL351825 0.68 PARK7 (0.48) PARK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US claimed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US claimed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG TLR7 367/4885EGLN2 2902/4885FTO 3583/4885

“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.