SCHEMBL6770925

SCHEMBL6770925

C=CCN(CC=C)c1ccc(CN(OC(=O)C(CC)(CC)C(=O)O)C(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
CHKA P35790 1/20 0.32
PTPN1 P18031 2/20 0.31
TSHR P16473 1/20 0.31
SRD5A1 P18405 1/20 0.31
BCL2A1 Q16548 3/20 0.31
LSS P48449 2/20 0.31
RIPK1 Q13546 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL11069887 0.69 ALDH1A1 (0.44) RIPK1
SCHEMBL6770651 0.68 CNR2 (0.42) CNR2CNR1CHKABCL2A1LSS
SCHEMBL16989819 0.66 RIPK1 (0.48) TSHRRIPK1
SCHEMBL10473098 0.65 SMN1; SMN2 (0.39) CHKAPTPN1TSHR
SCHEMBL6775466 0.64 CNR2 (0.46) CNR2CNR1TSHRLSS
SCHEMBL6770646 0.64 ALDH1A1 (0.62) CNR2CNR1PTPN1
SCHEMBL4564604 0.64 MAPT (0.50) PTPN1TSHR
SCHEMBL10432990 0.64 CYP3A4 (0.46) TSHR
SCHEMBL11362594 0.63 CYP2C19 (0.55) CNR2CHKATSHRNR1H2NR1H3
SCHEMBL2777994 0.63 HIF1A (0.62) PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 US 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 (1 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS CNR2 4806/4885CNR1 4831/4885CHKA 2738/4885

“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.