SCHEMBL6776523

SCHEMBL6776523

CNc1ccc(CC(NC(C)=O)C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
ATM Q13315 2/20 0.49
ALDH1A1 P00352 2/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6776526 1.00 TACR1 (0.51) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL1108338 0.88 CA12 (0.52) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL11333016 0.88 CA12 (0.52) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL19483164 0.88 TACR1 (0.51) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL15498955 0.88 TACR1 (0.51) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL315117 0.84 NPSR1 (0.61) TACR1ATMALDH1A1NPSR1KMT2A
SCHEMBL2777992 0.84 LMNA (0.58) TACR1
SCHEMBL3050135 0.84 NPSR1 (0.61) TACR1ATMALDH1A1NPSR1KMT2A
SCHEMBL17176127 0.84 ATM (0.63) TACR1ATMALDH1A1THRBCYP2C9
SCHEMBL14542254 0.84 ALDH1A1 (0.54) TACR1ATMALDH1A1THRBCYP2C9

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 TACR1 4703/4885ATM 854/4885ALDH1A1 3856/4885

“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.