SCHEMBL207616

SCHEMBL207616

CC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
FPR1 P21462 4/20 0.40
FPR2 P25090 3/20 0.40
ALOX15 P16050 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPA1 O75762 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
TDO2 P48775 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4268249 0.85 SSTR4 (0.41) PTK2L3MBTL1
SCHEMBL209274 0.85 SSTR4 (0.41) PTK2L3MBTL1
SCHEMBL5437564 0.85 L3MBTL1 (0.46) PTK2L3MBTL1TRPA1RAB9ANPC1
SCHEMBL4268193 0.85 SMN1; SMN2 (0.45) PTK2L3MBTL1TRPA1RAB9ANPC1
SCHEMBL4268198 0.85 SMN1; SMN2 (0.45) PTK2L3MBTL1TRPA1RAB9ANPC1
SCHEMBL209207 0.82 PTK2 (0.39) PTK2FPR1FPR2L3MBTL1TRPA1
SCHEMBL2706194 0.82 PTK2 (0.39) PTK2FPR1FPR2L3MBTL1TRPA1
SCHEMBL13696696 0.82 PTK2 (0.39) PTK2FPR1FPR2L3MBTL1TRPA1
SCHEMBL13631335 0.80 F10 (0.42) PTK2ALOX15L3MBTL1TRPA1RAB9A
SCHEMBL210778 0.79 IDO1 (0.42) PTK2FPR1FPR2L3MBTL1RAB9A

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 PTK2 627/4885FPR1 31/4885FPR2 51/4885

“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.