SCHEMBL808611

SCHEMBL808611

O=C(CC(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)N[C@@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.40
ACP3 P15309 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER4 P35408 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38

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
SCHEMBL4344304 1.00 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL4338111 0.90 MEN1 (0.41) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL4339794 0.89 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL4330802 0.86 KMT2A (0.48) ALDH1A1MEN1KMT2A
SCHEMBL808540 0.84 POLB (0.45) ALDH1A1CYP2C9CYP2C19HPGDMEN1
SCHEMBL808660 0.84 ALDH1A1 (0.43) ALDH1A1CYP2C9EPHX2MEN1KMT2A
SCHEMBL809240 0.84 CYP2C9 (0.43) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL4337174 0.84 ALDH1A1 (0.43) ALDH1A1CYP2C9EPHX2MEN1KMT2A
SCHEMBL808659 0.83 ALDH1A1 (0.40) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL4344282 0.83 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19HPGDHTT

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 897/4885CYP2C9 22/4885CYP2C19 103/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2C9 22/4885CYP2C19 103/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2C9 22/4885CYP2C19 103/4885

“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.