SCHEMBL809016

SCHEMBL809016

COc1cccc(C(O)(c2cccc(OC)c2)[C@@H](NC(=O)C2(C(=O)N[C@@H](c3cccc4ccccc34)C(O)(c3cccc(OC)c3)c3cccc(OC)c3)CCCCC2)c2cccc3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 8/20 0.36
MTNR1B P49286 7/20 0.36
HTR2C P28335 5/20 0.36
KCNJ11 Q14654 1/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.35
CASP8 Q14790 1/20 0.35
TSHR P16473 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
RAB9A P51151 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
SCHEMBL808985 0.99 KMT2A (0.37) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL809148 0.97 KMT2A (0.37) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL808994 0.95 KMT2A (0.38) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL2841942 0.93 MTNR1A (0.33) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL808694 0.88 METAP2 (0.37) KMT2AALDH1A1MEN1TSHRMETAP2
SCHEMBL808655 0.87 HDAC4 (0.36) KMT2AALDH1A1MEN1KCNJ11TSHR
SCHEMBL809222 0.87 ALDH1A1 (0.39) ALDH1A1HPGDCASP1CASP8METAP2
SCHEMBL808685 0.86 ALDH1A1 (0.40) ALDH1A1HPGDCASP1CASP8METAP2
SCHEMBL808612 0.85 ALDH1A1 (0.36) KMT2AALDH1A1MEN1KCNJ11METAP2
SCHEMBL808834 0.85 POLB (0.43) KMT2AALDH1A1MEN1KDM4EMTNR1A

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 6 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-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 (2 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 KMT2A 4666/4885ALDH1A1 897/4885HPGD 1596/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885ALDH1A1 897/4885HPGD 1596/4885

“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.