Sugi Predict

Sugi Predict / Compounds / SCHEMBL808648

SCHEMBL808648

SCHEMBL808648

O=C(N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1)Cc1ccccc1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ ACP3 P15309 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 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
SCHEMBL809298 0.95 LMNA (0.40) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL808819 0.95 LMNA (0.40) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL808748 0.94 LMNA (0.39) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL809137 0.92 LMNA (0.39) LMNAGAAEPHX2ALDH1A1HTT
SCHEMBL808573 0.90 LMNA (0.40) LMNAGAAEPHX2ALDH1A1HTT
SCHEMBL808595 0.90 CASR (0.42) LMNAGAAACP3ALDH1A1
SCHEMBL2790043 0.89 SSTR4 (0.37) LMNAGAAALDH1A1CYP2C9CYP2C19
SCHEMBL809153 0.89 KMT2A (0.46) GAAALDH1A1HPGDKDM4EMEN1
SCHEMBL808713 0.88 LMNA (0.38) LMNAGAAEPHX2ALDH1A1HTT
SCHEMBL808683 0.88 LMNA (0.38) LMNAGAAEPHX2ALDH1A1HTT

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 LMNA 2541/4885GAA 2693/4885EPHX2 369/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885EPHX2 369/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885EPHX2 369/4885

“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.