SCHEMBL13111156

SCHEMBL13111156

CB1OCc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.52
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KIF11 P52732 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL3472037 0.87 FFAR4 (0.55) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL13111162 0.86 ALDH1A1 (0.59) FFAR4TP53MAPTLMNAALDH1A1
SCHEMBL10172234 0.81 HTR6 (0.50) FFAR4SMN1; SMN2LMNAALDH1A1
SCHEMBL13111180 0.79 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1DRD2DRD3
SCHEMBL13111161 0.79 HTR6 (0.45) FFAR4SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL13111155 0.79 CA12 (0.49) TP53MAPTLMNAALDH1A1
SCHEMBL13111154 0.79 DRD2 (0.45) SMN1; SMN2MAPTLMNAALDH1A1DRD2
SCHEMBL13111167 0.79 ALDH1A1 (0.41) SMN1; SMN2MAPTLMNAALDH1A1DRD2
SCHEMBL13111620 0.76 CA1 (0.41) SMN1; SMN2LMNAALDH1A1
SCHEMBL2404339 0.74 CA1 (0.63) FFAR4TP53MAPTLMNAALDH1A1

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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD FFAR4 3620/4885TP53 2114/4885SMN1; SMN2 4069/4885

“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.