SCHEMBL809108

SCHEMBL809108

Cc1cccc(C(O)(c2cccc(C)c2)C(NC(=O)C(F)(F)F)c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.37
PDE2A O00408 1/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL808930 0.89 KCNJ11 (0.44) HDAC3CYP2C9HDAC1HDAC6ABCC9
SCHEMBL808763 0.89 LMNA (0.39) ABCC9ABCC8KCNJ11KCNJ8HTT
SCHEMBL809240 0.89 CYP2C9 (0.43) HDAC3CYP2C9HDAC1HDAC6HTT
SCHEMBL808812 0.87 MTNR1A (0.43) HDAC3CYP2C9HDAC1HDAC6KCNJ11
SCHEMBL808533 0.86 LMNA (0.42) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL808666 0.82 ALDH1A1 (0.37) ABCC9ABCC8KCNJ11KCNJ8HTT
SCHEMBL809352 0.82 KCNJ11 (0.47) HDAC3CYP2C9HDAC1HDAC6KCNJ11
SCHEMBL808968 0.81 HDAC3 (0.47) HDAC3CYP2C9HDAC1HDAC6KCNJ11
SCHEMBL808612 0.80 ALDH1A1 (0.36) ABCC9ABCC8KCNJ11KCNJ8HTT
SCHEMBL808655 0.80 HDAC4 (0.36) ABCC9ABCC8KCNJ11KCNJ8HTT

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 HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885

“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.