Sugi Predict

Sugi Predict / Compounds / SCHEMBL808630

SCHEMBL808630

SCHEMBL808630

Cc1ccc(CC(O)(Cc2ccc(C)cc2)[C@@H](NC(=O)C2(C(=O)N[C@@H](c3cccc4ccccc34)C(O)(Cc3ccc(C)cc3)Cc3ccc(C)cc3)CCCCC2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ LTC4S Q16873 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL808713 0.99 LMNA (0.38) METAP2METAP1LMNAGAAITGB1
SCHEMBL808683 0.97 LMNA (0.38) METAP2METAP1LMNAGAAEPHX2
SCHEMBL809137 0.95 LMNA (0.39) LMNAGAAEPHX2LTC4SSCN5A
SCHEMBL808748 0.93 LMNA (0.39) METAP2METAP1LMNAGAAITGB1
SCHEMBL809081 0.92 LMNA (0.38) METAP2METAP1LMNAGAACYP3A4
SCHEMBL809298 0.91 LMNA (0.40) METAP2METAP1LMNAGAAITGB1
SCHEMBL809276 0.91 LMNA (0.39) METAP2LMNAGAACYP3A4TSHR
SCHEMBL808819 0.89 LMNA (0.40) METAP2METAP1LMNAGAAITGB1
SCHEMBL808785 0.89 KMT2A (0.43) LMNATDP1KDM4EALDH1A1RAB9A
SCHEMBL808614 0.89 LMNA (0.39) METAP2METAP1LMNAGAAEPHX2

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 METAP2 4249/4885METAP1 3986/4885LMNA 2541/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885METAP1 3986/4885LMNA 2541/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885METAP1 3986/4885LMNA 2541/4885

“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.