SCHEMBL2820264

SCHEMBL2820264

O=C(O)c1ccc2c(c1)C(NC(=O)c1c(F)cccc1C(F)(F)F)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.45
TAS1R3 Q7RTX0 7/20 0.44
TAS1R1 Q7RTX1 7/20 0.44
TAS1R2 Q8TE23 6/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RORC P51449 3/20 0.41
HTT P42858 1/20 0.40
CRBN Q96SW2 1/20 0.39
TTR P02766 1/20 0.39
CTSS P25774 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2820261 1.00 WDR5 (0.45) WDR5TAS1R3TAS1R1TAS1R2CA12
SCHEMBL2818874 0.89 RBP4 (0.45) WDR5TAS1R3TAS1R1TAS1R2CA12
SCHEMBL2818878 0.89 RBP4 (0.45) WDR5TAS1R3TAS1R1TAS1R2CA12
SCHEMBL2818921 0.89 TAS1R3 (0.51) WDR5TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL2818919 0.89 TAS1R3 (0.51) WDR5TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL785761 0.85 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL785760 0.85 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL785669 0.84 WDR5 (0.47) WDR5TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL785745 0.84 WDR5 (0.47) WDR5TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL785748 0.82 TAS1R3 (0.47) WDR5TAS1R3TAS1R1TAS1R2PDE4A

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885TAS1R3 339/4885TAS1R1 107/4885

“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.