SCHEMBL6771390

SCHEMBL6771390

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.55
CTSB P07858 7/20 0.50
POLB P06746 1/20 0.50
CTSS P25774 3/20 0.49
CTSL P07711 3/20 0.49
CTSK P43235 2/20 0.47
PAM P19021 1/20 0.47
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9828630 0.88 TACR1 (0.58) TACR1CTSBPOLBCTSSCTSL
SCHEMBL6775079 0.86 TACR1 (0.53) TACR1CTSBPOLBCTSSCTSL
SCHEMBL2781829 0.85 CTSS (0.61) TACR1CTSSCTSKPAMALDH1A1
SCHEMBL28068999 0.79 L3MBTL1 (0.56) CTSBPOLBCTSSCTSLCTSK
SCHEMBL31544975 0.79 ACACB (0.59) TACR1
SCHEMBL15179166 0.76 CTSB (0.48) TACR1CTSBPOLBCTSSCTSL
SCHEMBL11132299 0.76 POLB (0.51) CTSBPOLBCTSSCTSLCTSK
SCHEMBL11132296 0.76 POLB (0.51) CTSBPOLBCTSSCTSLCTSK
SCHEMBL805204 0.76 POLB (0.51) CTSBPOLBCTSSCTSLCTSK
SCHEMBL2777444 0.75 TAAR1 (0.46) ALDH1A1

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 4703/4885CTSB 291/4885POLB 38/4885

“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.