SCHEMBL808583

SCHEMBL808583

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)CC2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.38
LTC4S Q16873 1/20 0.37
SCN2A Q99250 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SSTR4 P31391 1/20 0.36
ALDH1A1 P00352 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SCN5A Q14524 1/20 0.35

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 0.96 KCNJ11 (0.36) KCNJ11LTC4SSCN2ARAB9ANPC1
SCHEMBL809094 0.96 KCNJ11 (0.36) KCNJ11LTC4SSCN2ARAB9ANPC1
SCHEMBL809050 0.95 METAP2 (0.38) KCNJ11LTC4SSCN2ARAB9ANPC1
SCHEMBL808950 0.91 ALDH1A1 (0.41) SSTR4ALDH1A1METAP2METAP1LMNA
SCHEMBL808666 0.90 ALDH1A1 (0.37) KCNJ11MEN1KMT2ASSTR4ALDH1A1
SCHEMBL808685 0.86 ALDH1A1 (0.40) SSTR4ALDH1A1METAP2METAP1LMNA
SCHEMBL809296 0.86 ALDH1A1 (0.40) SSTR4ALDH1A1METAP2METAP1LMNA
SCHEMBL808612 0.86 ALDH1A1 (0.36) KCNJ11MEN1KMT2ASSTR4ALDH1A1
SCHEMBL808655 0.86 HDAC4 (0.36) KCNJ11MEN1KMT2ASSTR4ALDH1A1
SCHEMBL4340483 0.86 KCNJ11 (0.42) KCNJ11LTC4SSCN2ARAB9ANPC1

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 KCNJ11 1282/4885LTC4S 234/4885SCN2A 4591/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885LTC4S 234/4885SCN2A 4591/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885LTC4S 234/4885SCN2A 4591/4885

“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.