SCHEMBL809190

SCHEMBL809190

CCC(CC)(C(=O)NCC(O)(Cc1ccccc1)C(c1ccccc1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccccc1)C(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CTSG P08311 2/20 0.37
SLC6A4 P31645 1/20 0.37
ACP3 P15309 2/20 0.37
RIPK1 Q13546 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
OPRK1 P41145 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
SCHEMBL808628 0.92 EPHX2 (0.39) EPHX2MMP8ALDH1A1LMNAGAA
SCHEMBL808766 0.91 KMT2A (0.35) EPHX2ALDH1A1LMNAGAA
SCHEMBL808697 0.89 MMP8 (0.42) EPHX2MMP8ALDH1A1LMNAGAA
SCHEMBL808642 0.88 MEN1 (0.36) EPHX2ALDH1A1LMNAGAACTSG
SCHEMBL808806 0.88 CACNA1B (0.44) ALDH1A1GAA
SCHEMBL808644 0.87 ALDH1A1 (0.43) EPHX2MMP8ALDH1A1LMNAGAA
SCHEMBL808772 0.86 POLB (0.44) EPHX2ALDH1A1LMNA
SCHEMBL808856 0.86 SSTR4 (0.39) LMNAOPRK1
SCHEMBL808553 0.85 CASR (0.40) LMNACTSGACP3
SCHEMBL808781 0.83 SMN1; SMN2 (0.36) ALDH1A1OPRK1

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 EPHX2 369/4885MMP8 3635/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE EPHX2 369/4885MMP8 3635/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE EPHX2 369/4885MMP8 3635/4885ALDH1A1 897/4885

“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.