SCHEMBL809050

SCHEMBL809050

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](NC(=O)C2(C(=O)N[C@@H](c3cccc4ccccc34)C(O)(c3ccc(C)cc3)c3ccc(C)cc3)CCCCC2)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
KCNJ11 Q14654 1/20 0.36
LTC4S Q16873 1/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SCN2A Q99250 1/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4A O75164 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
SSTR4 P31391 1/20 0.34
LPAR1 Q92633 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
SCHEMBL809199 0.99 KCNJ11 (0.36) METAP2METAP1KCNJ11LTC4SRAB9A
SCHEMBL809094 0.97 KCNJ11 (0.36) METAP2METAP1KCNJ11LTC4SRAB9A
SCHEMBL808583 0.95 KCNJ11 (0.38) METAP2METAP1KCNJ11LTC4SRAB9A
SCHEMBL809222 0.91 ALDH1A1 (0.39) METAP2METAP1ALDH1A1LMNAGAA
SCHEMBL808694 0.91 METAP2 (0.37) METAP2METAP1ALDH1A1LMNAMEN1
SCHEMBL808685 0.90 ALDH1A1 (0.40) METAP2METAP1ALDH1A1LMNAGAA
SCHEMBL808655 0.89 HDAC4 (0.36) METAP2METAP1KCNJ11ALDH1A1LMNA
SCHEMBL809296 0.88 ALDH1A1 (0.40) METAP2METAP1ALDH1A1LMNAGAA
SCHEMBL808612 0.87 ALDH1A1 (0.36) METAP2METAP1KCNJ11ALDH1A1LMNA
SCHEMBL808630 0.86 METAP2 (0.37) METAP2METAP1LTC4SRAB9AALDH1A1

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 METAP2 4249/4885METAP1 3986/4885KCNJ11 1282/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885METAP1 3986/4885KCNJ11 1282/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885METAP1 3986/4885KCNJ11 1282/4885

“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.