SCHEMBL13884331

SCHEMBL13884331

CC(C)(C)Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(NC(C)(C)C)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
PGR P06401 4/20 0.44
CACNA1B Q00975 2/20 0.44
CACNA1H O95180 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9862367 0.83 HTT (0.60) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL13705500 0.82 MAPT (0.49) HTTSMN1; SMN2CACNA1BLMNAALDH1A1
SCHEMBL18838829 0.79 HTT (0.57) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL13884299 0.77 SMN1; SMN2 (0.58) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10709703 0.77 HTT (0.60) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL24797471 0.77 HTT (0.50) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL15085210 0.76 HTT (0.52) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL19322778 0.76 NPC1 (0.49) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL9233513 0.75 MTNR1B (0.62) SMN1; SMN2PGRLMNAALDH1A1PKM
SCHEMBL7180147 0.74 HTT (0.61) HTTTDP1L3MBTL1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 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 (3 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS HTT 4629/4885TDP1 1847/4885L3MBTL1 1379/4885
US-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD HTT 4560/4885TDP1 2092/4885L3MBTL1 1532/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD HTT 4560/4885TDP1 2092/4885L3MBTL1 1532/4885

“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.