Sugi Predict

Sugi Predict / Compounds / SCHEMBL809046

SCHEMBL809046

SCHEMBL809046

O=C(N[C@@H](c1cccc2ccccc12)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2cccc3ccccc23)Cc2cccc3ccccc23)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ HPGD P15428 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
SCHEMBL808862 0.99 METAP2 (0.36) SSTR4MAPK1TDP1ALDH1A1MEN1
SCHEMBL809106 0.98 SSTR4 (0.36) SSTR4MAPK1TDP1ALDH1A1MEN1
SCHEMBL2790043 0.95 SSTR4 (0.37) SSTR4TDP1ALDH1A1MEN1MAPT
SCHEMBL808942 0.92 ALDH1A1 (0.35) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL809131 0.91 METAP2 (0.36) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL809298 0.90 LMNA (0.40) ALDH1A1MEN1KMT2AMETAP2METAP1
SCHEMBL808639 0.89 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2APTGER4
SCHEMBL2785870 0.89 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AITGB1ITGA4
SCHEMBL808748 0.89 LMNA (0.39) ALDH1A1MEN1KMT2AMETAP2METAP1
SCHEMBL808711 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2AMETAP2METAP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 — — EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 — — US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 — — US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 — — US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 — — US disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 — — US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 — — US disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 — — 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 (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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE SSTR4 2560/4885MAPK1 2248/4885TDP1 4483/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SSTR4 2560/4885MAPK1 2248/4885TDP1 4483/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SSTR4 2560/4885MAPK1 2248/4885TDP1 4483/4885

“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.