SCHEMBL14904006

SCHEMBL14904006

COc1cc(-c2cnc3cc(CO)c(CO)cc3c2[N+](=O)[O-])cc(OS(=O)(=O)C(F)(F)F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
FYN P06241 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SYK P43405 2/20 0.32
MAP3K11 Q16584 2/20 0.32
PDE5A O76074 2/20 0.31
PDE4A P27815 2/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE1C Q14123 2/20 0.31
PDE3A Q14432 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL14906841 0.89 PDGFRB (0.36) PKMFYNJAK2JAK1TYK2
SCHEMBL14904011 0.83 ALDH1A1 (0.32) PDE4APDE4CPDE4DALDH1A1
SCHEMBL14904010 0.79 FYN (0.40) FYNMAP3K11ALDH1A1HPGDHTT
SCHEMBL14903996 0.78 PDGFRB (0.44) FYNPDE5APDE4APDE1APDE1B
SCHEMBL14906840 0.74 PDGFRB (0.39) KDM4EMEN1KMT2A
SCHEMBL129769 0.72 PDE5A (0.41) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL14904073 0.69 BRD4 (0.39) FYNMAP3K11PDE5APDE4APDE1A
SCHEMBL12074221 0.67 PDGFRB (0.58)
SCHEMBL14904017 0.67 FYN (0.45) FYNJAK2JAK1TYK2JAK3
SCHEMBL12074064 0.66 FYN (0.44) FYNALDH1A1ABCB1

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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 (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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PKM 4580/4885FYN 4551/4885JAK2 958/4885

“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.