SCHEMBL808595

SCHEMBL808595

O=C(N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
CMA1 P23946 3/20 0.38
CTSG P08311 1/20 0.38
ACP3 P15309 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36
MC5R P33032 1/20 0.36
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL809195 0.96 CASR (0.43) CASRCMA1CTSGACP3LMNA
SCHEMBL808865 0.96 CASR (0.43) CASRCMA1CTSGACP3LMNA
SCHEMBL808645 0.95 CASR (0.43) CASRCMA1CTSGACP3LMNA
SCHEMBL808648 0.90 LMNA (0.41) ACP3LMNAGAAALDH1A1
SCHEMBL808573 0.89 LMNA (0.40) LMNAGAATACR1ALDH1A1
SCHEMBL808720 0.88 POLB (0.45) ALDH1A1
SCHEMBL809137 0.87 LMNA (0.39) LMNAGAATACR1ALDH1A1
SCHEMBL2790043 0.86 SSTR4 (0.37) LMNAGAATACR1ALDH1A1
SCHEMBL2787996 0.86 CASR (0.45) CASRCMA1CTSGACP3LMNA
SCHEMBL809153 0.86 KMT2A (0.46) GAAALDH1A1

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 CASR 3862/4885CMA1 1160/4885CTSG 3818/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CASR 3862/4885CMA1 1160/4885CTSG 3818/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CASR 3862/4885CMA1 1160/4885CTSG 3818/4885

“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.