SCHEMBL808685

SCHEMBL808685

O=C(N[C@@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
SSTR4 P31391 1/20 0.35
CASP1 P29466 2/20 0.35
CASP8 Q14790 2/20 0.35
EPHX2 P34913 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
CMA1 P23946 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL809222 0.99 ALDH1A1 (0.39) ALDH1A1METAP2METAP1ITGB1ITGA4
SCHEMBL809296 0.98 ALDH1A1 (0.40) ALDH1A1METAP2METAP1ITGB1ITGA4
SCHEMBL808950 0.95 ALDH1A1 (0.41) ALDH1A1METAP2METAP1SSTR4EPHX2
SCHEMBL809199 0.91 KCNJ11 (0.36) ALDH1A1METAP2METAP1SSTR4LMNA
SCHEMBL808655 0.90 HDAC4 (0.36) ALDH1A1METAP2METAP1SSTR4LMNA
SCHEMBL809050 0.90 METAP2 (0.38) ALDH1A1METAP2METAP1SSTR4CASP1
SCHEMBL808694 0.89 METAP2 (0.37) ALDH1A1METAP2METAP1SSTR4LMNA
SCHEMBL809094 0.89 KCNJ11 (0.36) ALDH1A1METAP2METAP1SSTR4LMNA
SCHEMBL808612 0.88 ALDH1A1 (0.36) ALDH1A1METAP2METAP1SSTR4LMNA
SCHEMBL808985 0.86 KMT2A (0.37) ALDH1A1CYP2C9LMNAHPGDCYP2C19

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 ALDH1A1 897/4885METAP2 4249/4885METAP1 3986/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885METAP2 4249/4885METAP1 3986/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885METAP2 4249/4885METAP1 3986/4885

“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.