SCHEMBL128707

SCHEMBL128707

Cc1nc(-c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc2cc(CO)c(CO)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAC1 P63000 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
DHODH Q02127 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
F11 P03951 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL14927094 0.85 SDHB (0.42) SDHBKDM4ELMNAMAPTNPSR1
SCHEMBL146351 0.83 RAC1 (0.57) SDHBKDM4ELMNAMAPTNPSR1
SCHEMBL129769 0.78 PDE5A (0.41) KDM4EMAPTRAC1ALDH1A1GAA
SCHEMBL129818 0.78 PDE4A (0.34) HTR1AHTR1DHTR1B
SCHEMBL128848 0.78 RAC1 (0.42) KDM4EMAPTRAC1ALDH1A1GAA
SCHEMBL128040 0.77 RAC1 (0.44) KDM4EMAPTRAC1ALDH1A1GAA
SCHEMBL127673 0.74 RAC1 (0.40) KDM4EMAPTRAC1ALDH1A1GAA
SCHEMBL128999 0.71 CTSS (0.46) KDM4ELMNAMAPTHSD17B10ALDH1A1
SCHEMBL3810758 0.71 NPC1 (0.41) SDHBKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL13416088 0.70 CA1 (0.45) SDHBHTR1AHTR1DHTR1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L SDHB 4162/4885KDM4E 2001/4885LMNA 3821/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L SDHB 4347/4885KDM4E 1992/4885LMNA 3733/4885

“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.