SCHEMBL6421875

SCHEMBL6421875

CC(C)(C)OC(=O)C(C)(N)CCO/N=C(\C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 8/20 0.35
MEN1 O00255 7/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGDS O60760 1/20 0.31

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
Methane SCHEMBL9366272 0.86 MAPT (0.42) MAPTGAALMNAKMT2AMEN1
SCHEMBL9023452 0.85 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9023457 0.85 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9699589 0.85 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL10551133 0.85 MAPT (0.39) MAPTGAALMNAKMT2AMEN1
SCHEMBL10551124 0.85 MAPT (0.39) MAPTGAALMNAKMT2AMEN1
SCHEMBL8683544 0.84 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL8626419 0.84 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL10542977 0.84 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL2535653 0.83 MAPT (0.38) MAPTGAALMNACA12CA1

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-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-09-22 US disclosed
EP-1434779-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2004-07-07 EP disclosed
WO-2003031449-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-04-17 WO 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-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885GAA 654/4885LMNA 3192/4885

“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.