Sugi Predict

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SCHEMBL808642

SCHEMBL808642

CCC(CC)(C(=O)NCC(O)(Cc1cccc(C)c1)C(c1cccc(C)c1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1cccc(C)c1)C(c1cccc(C)c1)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL809209 0.94 LMNA (0.35) MEN1KMT2ADRD4TP53CTSG
SCHEMBL808494 0.90 CTSG (0.37) MEN1KMT2ADRD4TP53CTSG
SCHEMBL808802 0.89 TP53 (0.38) MEN1KMT2ADRD4TP53CTSG
SCHEMBL809190 0.88 EPHX2 (0.40) CTSGEPHX2LMNAGAAALDH1A1
SCHEMBL808772 0.86 POLB (0.44) MEN1KMT2AEPHX2LMNAALDH1A1
SCHEMBL808553 0.86 CASR (0.40) MEN1KMT2ACTSGLMNA
SCHEMBL808766 0.85 KMT2A (0.35) MEN1KMT2ADRD4EPHX2LMNA
SCHEMBL808628 0.82 EPHX2 (0.39) MEN1KMT2ACTSGEPHX2LMNA
SCHEMBL808641 0.81 LMNA (0.41) MEN1KMT2ADRD4EPHX2LMNA
SCHEMBL808856 0.81 SSTR4 (0.39) MEN1KMT2ALMNAHPGDMAPT

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-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 — — 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-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 MEN1 3119/4885KMT2A 4666/4885DRD4 1008/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MEN1 3119/4885KMT2A 4666/4885DRD4 1008/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MEN1 3119/4885KMT2A 4666/4885DRD4 1008/4885

“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.