SCHEMBL21707917

SCHEMBL21707917

O=C(OCCF)c1cc(OCCF)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SNCA P37840 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21707979 0.84 MAPT (0.60) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL21707908 0.83 TSHR (0.48) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL21707869 0.78 MAPT (0.58) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL21707983 0.77 ALDH1A1 (0.49) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL14333492 0.76 CYP1A2 (0.47) MAPTSNCAKDM4EKMT2AMEN1
SCHEMBL268658 0.76 TDP1 (0.55) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL4255397 0.76 TDP1 (0.55) MAPTTDP1KMT2AALDH1A1LMNA
SCHEMBL14333508 0.76 MAPT (0.64) MAPTKDM4EKMT2AMEN1HTT
SCHEMBL5105312 0.75 POLB (0.52) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8787027 0.75 CYP3A4 (0.48) MAPTTDP1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-07-27 US disclosed
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC 2020-02-13 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 (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-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors SLC2A3, SLC2A4, SLC2A1 MAPT 1704/4885SNCA 4256/4885TDP1 4032/4885
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS SLC2A3, SLC2A4, SLC2A1 MAPT 1704/4885SNCA 4256/4885TDP1 4032/4885

“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.