SCHEMBL6774455

SCHEMBL6774455

CC(=O)N[C@H](Cc1cccc(N)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.51
TACR1 P25103 1/20 0.50
FOLH1 Q04609 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48

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
SCHEMBL6774452 1.00 GNPAT (0.51) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL2779453 1.00 GNPAT (0.51) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL13811865 0.85 L3MBTL1 (0.51) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL4404729 0.85 L3MBTL1 (0.51) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL3770263 0.85 SLC7A5 (0.47) FOLH1L3MBTL1MMEACECPA1
SCHEMBL3770259 0.85 SLC7A5 (0.47) FOLH1L3MBTL1MMEACECPA1
SCHEMBL3002363 0.84 NOS2 (0.55) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL3002357 0.84 NOS2 (0.55) GNPATTACR1FOLH1L3MBTL1HDAC3
SCHEMBL9828630 0.84 TACR1 (0.58) GNPATTACR1FOLH1L3MBTL1ITGB1
Afalanine SCHEMBL158612 0.82 CTSS (0.65) GNPATTACR1L3MBTL1LMNACTSS

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 GNPAT 328/4885TACR1 4703/4885FOLH1 733/4885

“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.