SCHEMBL809221

SCHEMBL809221

COc1ccc2cc(NCC(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
AKR1C3 P42330 6/20 0.55
AKR1C2 P52895 6/20 0.55
PTGS1 P23219 4/20 0.55
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 2/20 0.51
EGLN1 Q9GZT9 1/20 0.48
PLAU P00749 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
PTGS2 P35354 4/20 0.47
MAPT P10636 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
Hydrochloric Acid SCHEMBL809239 0.89 ACHE (0.53) CA12CA1CA2CA9AKR1C3
Hydrochloric Acid SCHEMBL3655605 0.84 MAPT (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL1797197 0.84 MAPT (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL5285556 0.82 MTNR1A (0.61) RXFP1TSHR
Hydrochloric Acid SCHEMBL11060114 0.80 ALDH1A1 (0.60) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL809030 0.80 ALDH1A1 (0.60) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL11059512 0.78 ALDH1A1 (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL4058023 0.78 NPC1 (0.56) AKR1C3AKR1C2PTGS1KDM4ECYP1A2
SCHEMBL5322422 0.78 KMT2A (0.53) CA12CA1CA2CA9AKR1C3
SCHEMBL3716712 0.78 CYP1A2 (0.50) AKR1C3AKR1C2PTGS1KDM4ECYP1A2

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 10 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
US-4490370-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-12-25 US disclosed
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 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 CA12 4231/4885CA1 3342/4885CA2 1839/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CA12 4231/4885CA1 3342/4885CA2 1839/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CA12 4231/4885CA1 3342/4885CA2 1839/4885

“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.