Sugi Predict

Sugi Predict / Compounds / SCHEMBL209026

SCHEMBL209026

SCHEMBL209026

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDO2 P48775 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ F10 P00742 4/20 0.35
▸ F2 P00734 1/20 0.35
▸ F5 P12259 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK8 P45983 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
SCHEMBL207922 0.91 ALDH1A1 (0.44) IDO1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL206636 0.89 IDO1 (0.41) IDO1ALDH1A1L3MBTL1SMN1; SMN2TDO2
SCHEMBL3304758 0.88 DRD2 (0.35) IDO1TSHRL3MBTL1SMN1; SMN2TDO2
SCHEMBL210778 0.86 IDO1 (0.42) IDO1TSHRL3MBTL1TDO2CCR1
SCHEMBL207801 0.85 IDO1 (0.39) IDO1TSHRL3MBTL1TDO2CCR1
SCHEMBL209410 0.85 IDO1 (0.39) IDO1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL4267724 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL4267730 0.84 IDO1 (0.39) IDO1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL208363 0.84 F10 (0.42) IDO1ALDH1A1TSHRL3MBTL1TDO2
SCHEMBL209753 0.84 IDO1 (0.40) IDO1TSHRL3MBTL1TDO2CCR1

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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — 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-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — 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 (3 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 569/4885ALDH1A1 1780/4885TSHR 280/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL IDO1 3956/4885ALDH1A1 3214/4885TSHR 312/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 IDO1 2703/4885ALDH1A1 3454/4885TSHR 186/4885

“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.