SCHEMBL6076018

SCHEMBL6076018

CC(=O)NC1Cc2csc3ccc(O)c(c23)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA9 Q16790 1/20 0.41
MTNR1A P48039 8/20 0.41
MTNR1B P49286 6/20 0.41
ACHE P22303 1/20 0.34

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
SCHEMBL6081151 0.78 CA1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL6077262 0.77 MTNR1A (0.38) CA1CA2CA12CA7CA14
SCHEMBL6076582 0.74 CA1 (0.41) CA1CA2CA12CA7CA14
SCHEMBL6075588 0.74 MTNR1A (0.72) CA1CA2CA12CA7CA14
SCHEMBL8548336 0.73 CA1 (0.51) CA1CA2CA12CA7CA14
SCHEMBL30595323 0.66 MTNR1A (0.77) CA1CA2CA12CA7CA14
SCHEMBL1029693 0.66 MTNR1A (0.77) CA1CA2CA12CA7CA14
SCHEMBL10357546 0.64 CA1 (0.75) CA1CA2MTNR1AMTNR1BACHE
SCHEMBL6075910 0.64 MTNR1A (0.50) CA1CA2CA12CA7CA14
SCHEMBL9406032 0.64 MTNR1A (0.71) CA1CA2MTNR1AMTNR1BACHE

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-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-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 CA1 2119/4885CA2 3101/4885CA12 2142/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CA1 2119/4885CA2 3101/4885CA12 2142/4885

“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.