SCHEMBL16610780

SCHEMBL16610780

COc1ccc(Cn2nc(OS(=O)(=O)C(F)(F)F)c3c(OC)nccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPBWR1 P48145 2/20 0.38
CCR4 P51679 1/20 0.38
BUB1 O43683 4/20 0.36
PTGER4 P35408 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL16611177 0.77 KHK (0.40)
SCHEMBL31089343 0.75 SMN1; SMN2 (0.44) CNR1CNR2NPBWR1PTGDR2
SCHEMBL16611335 0.73 PTGS2 (0.49)
SCHEMBL3772381 0.73 CNR1 (0.41) CNR1CNR2BUB1PTGER4
SCHEMBL3771429 0.73 CNR1 (0.41) CNR1CNR2BUB1PTGER4
SCHEMBL16611033 0.72 CHRM3 (0.32)
SCHEMBL21797105 0.72 NPBWR1 (0.41) NPBWR1GRIN1GRIN2BPDE1APDE1B
SCHEMBL16611389 0.72 AXL (0.33)
SCHEMBL25289257 0.71 ALDH1A1 (0.45) CNR2NPBWR1GRIN1GRIN2BPDE1A
SCHEMBL31140686 0.71 ALDH1A1 (0.45) CNR2NPBWR1GRIN1GRIN2BPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885CNR2 2611/4885NPBWR1 3251/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885CNR2 2611/4885NPBWR1 3251/4885

“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.