SCHEMBL208194

SCHEMBL208194

COC(=O)N1CC[C@H](NC(=S)C(=O)Nc2ccc(F)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
NTRK1 P04629 4/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
USP30 Q70CQ3 3/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NPY5R Q15761 3/20 0.34
VNN1 O95497 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL208457 0.92 FPR1 (0.37) NTRK1JAK2JAK1NPY5RVNN1
SCHEMBL209335 0.90 IDO1 (0.40) PDE4BUSP30
SCHEMBL208835 0.86 NTRK1 (0.35) NTRK1JAK2JAK1NPY5R
SCHEMBL207841 0.82 IDO1 (0.40) USP30
SCHEMBL206636 0.82 IDO1 (0.41) PDE4BUSP30
SCHEMBL209539 0.78 NTRK1 (0.36) NTRK1JAK2JAK1NPY5R
SCHEMBL3302347 0.78 F10 (0.40)
SCHEMBL3302354 0.78 F10 (0.40)
SCHEMBL210229 0.77 F10 (0.55)
SCHEMBL208862 0.76 NPC1 (0.37) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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 (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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 PDE4B 3937/4885NTRK1 3581/4885HDAC1 788/4885

“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.