SCHEMBL207617

SCHEMBL207617

CC(C)(C)OC(=O)NN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
USP30 Q70CQ3 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
PTK2 Q05397 1/20 0.38
TDO2 P48775 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 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
SCHEMBL209275 0.87 ATF4 (0.41) IDO1USP30LMNATSHRPTK2
SCHEMBL14360007 0.81 CYP11B2 (0.49) IDO1USP30LMNATSHRPTK2
SCHEMBL4268198 0.76 SMN1; SMN2 (0.45) IDO1TSHRPTK2L3MBTL1TRPA1
SCHEMBL4268193 0.76 SMN1; SMN2 (0.45) IDO1TSHRPTK2L3MBTL1TRPA1
SCHEMBL5437564 0.76 L3MBTL1 (0.46) IDO1TSHRPTK2L3MBTL1TRPA1
SCHEMBL13696696 0.76 PTK2 (0.39) TSHRPTK2L3MBTL1TRPA1ALDH1A1
SCHEMBL209207 0.76 PTK2 (0.39) TSHRPTK2L3MBTL1TRPA1ALDH1A1
SCHEMBL2706194 0.76 PTK2 (0.39) TSHRPTK2L3MBTL1TRPA1ALDH1A1
SCHEMBL208895 0.75 F10 (0.43) IDO1USP30TSHRPTK2TDO2
SCHEMBL210778 0.73 IDO1 (0.42) IDO1USP30TSHRPTK2TDO2

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 2 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-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US 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 IDO1 569/4885USP30 4666/4885LMNA 279/4885

“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.