SCHEMBL3615732

SCHEMBL3615732

O=C(O)C=Cc1cc(F)c2c3c1ccc(=O)n3[C@H](CO)CO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MIF P14174 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
TDO2 P48775 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
AR P10275 1/20 0.31
EGFR P00533 1/20 0.30
ESR1 P03372 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL3615731 1.00 PKM (0.35) PKMTDP1MIFKDM4EHTT
SCHEMBL3608751 0.86 PKM (0.35) PKMTDP1MIFKDM4EHTT
Hydrochloric Acid SCHEMBL3615584 0.84 PKM (0.33) PKMTDP1KDM4EHTT
Hydrochloric Acid SCHEMBL3615582 0.84 PKM (0.33) PKMTDP1KDM4EHTT
SCHEMBL3610961 0.78 KCNA3 (0.38)
SCHEMBL3609928 0.75 KCNH2 (0.53)
SCHEMBL3609924 0.75 KCNH2 (0.53)
SCHEMBL3606058 0.74 CNR1 (0.35) CNR1CNR2
SCHEMBL3618035 0.73 KCNH2 (0.35) CNR1CNR2
SCHEMBL3652885 0.65 KCNH2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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 (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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS PKM 3649/4885TDP1 2504/4885MIF 1531/4885

“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.