SCHEMBL208457

SCHEMBL208457

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.37
FPR2 P25090 3/20 0.37
NTRK1 P04629 3/20 0.37
NPY5R Q15761 4/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
VNN1 O95497 1/20 0.34
PDK2 Q15119 1/20 0.34
RORC P51449 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL208194 0.92 PDE4B (0.38) NTRK1NPY5RJAK2JAK1VNN1
SCHEMBL207841 0.90 IDO1 (0.40) FPR1FPR2
SCHEMBL208835 0.87 NTRK1 (0.35) NTRK1NPY5RJAK2JAK1RORC
SCHEMBL209335 0.82 IDO1 (0.40)
SCHEMBL210778 0.81 IDO1 (0.42) FPR1FPR2
SCHEMBL210847 0.81 BCL2 (0.38) FPR1FPR2
SCHEMBL209539 0.79 NTRK1 (0.36) NTRK1NPY5RJAK2JAK1RORC
SCHEMBL3302347 0.79 F10 (0.40) RORC
SCHEMBL3302354 0.79 F10 (0.40) RORC
SCHEMBL208862 0.77 NPC1 (0.37)

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 FPR1 31/4885FPR2 51/4885NTRK1 3581/4885

“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.