SCHEMBL210582

SCHEMBL210582

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
POLB P06746 1/20 0.37
CNR1 P21554 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.37
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
F5 P12259 1/20 0.37
TSHR P16473 1/20 0.37
CCR1 P32246 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
GAA P10253 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL209841 0.91 MAPK1 (0.40) MAPK1RAB9AIDO1POLBSMN1; SMN2
SCHEMBL207930 0.88 F10 (0.40) MAPK1RAB9AIDO1TDO2POLB
SCHEMBL211346 0.87 LMNA (0.48) MAPK1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL208895 0.85 F10 (0.43) IDO1TDO2SMN1; SMN2F10F2
SCHEMBL209285 0.84 F10 (0.39) RAB9AIDO1TDO2SMN1; SMN2LMNA
SCHEMBL210778 0.84 IDO1 (0.42) MAPK1RAB9AIDO1TDO2F10
SCHEMBL208900 0.83 DRD2 (0.44) IDO1CNR1SMN1; SMN2F10F2
SCHEMBL207795 0.83 NPC1 (0.39) RAB9AIDO1TDO2LMNAF10
SCHEMBL206636 0.83 IDO1 (0.41) IDO1TDO2SMN1; SMN2F10F2
SCHEMBL4268198 0.82 SMN1; SMN2 (0.45) RAB9AIDO1SMN1; SMN2F10F2

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 MAPK1 2568/4885RAB9A 4576/4885IDO1 569/4885

“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.