Sugi Predict

Sugi Predict / Compounds / SCHEMBL808942

SCHEMBL808942

SCHEMBL808942

Cc1ccccc1CC(O)(Cc1ccccc1C)[C@@H](NC(=O)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2ccccc2C)Cc2ccccc2C)CCCC1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL809131 0.99 METAP2 (0.36) ALDH1A1MEN1KMT2APTGER4METAP2
SCHEMBL808639 0.98 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APTGER4METAP2
SCHEMBL808689 0.96 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APTGER4LMNA
SCHEMBL809046 0.92 SSTR4 (0.36) ALDH1A1MEN1KMT2APTGER4METAP2
SCHEMBL808862 0.91 METAP2 (0.36) ALDH1A1MEN1KMT2APTGER4METAP2
SCHEMBL809106 0.89 SSTR4 (0.36) ALDH1A1MEN1KMT2APTGER4METAP2
SCHEMBL808713 0.88 LMNA (0.38) ALDH1A1MEN1KMT2AMETAP2METAP1
SCHEMBL2785870 0.87 L3MBTL1 (0.41) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL2790043 0.87 SSTR4 (0.37) ALDH1A1MEN1KMT2APTGER4LMNA
SCHEMBL809110 0.87 ALDH1A1 (0.39) ALDH1A1METAP2METAP1LMNAGAA

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 897/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885MEN1 3119/4885KMT2A 4666/4885

“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.