SCHEMBL6076259

SCHEMBL6076259

CC(=O)NCC1=C(Cc2ccccc2)Oc2ccc(-c3ccoc3C(O)=S)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MTNR1B P49286 5/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
PTGIR P43119 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ROCK2 O75116 1/20 0.30
ASH1L Q9NR48 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL6077132 0.77 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL6077349 0.76 MTNR1A (0.51) MTNR1AMMP13MTNR1B
SCHEMBL6076248 0.75 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1
SCHEMBL7202107 0.74 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6076245 0.73 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1
SCHEMBL7849676 0.64 MTNR1A (0.38) MTNR1AMTNR1BPTGIR
SCHEMBL6077210 0.64 MTNR1A (0.78) MTNR1AMTNR1BHDAC1
SCHEMBL7198383 0.63 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1
SCHEMBL7198597 0.61 MTNR1A (1.00) MTNR1AMTNR1BCYP3A4CYP2C19CYP2C9
SCHEMBL21758204 0.61 KMT2A (0.61) CYP2C9ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MMP1 4773/4885MMP3 3889/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MMP1 4773/4885MMP3 3889/4885

“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.