SCHEMBL6076810

SCHEMBL6076810

O=C(O)CCS(=O)(=O)c1ccc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.48
MTNR1A P48039 5/20 0.48
MTNR1B P49286 4/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DDR1 Q08345 3/20 0.45
KAT6A Q92794 1/20 0.45
TP53 P04637 1/20 0.44
TP53BP1 Q12888 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
SCHEMBL7839407 0.82 MTNR1A (0.48) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL6076911 0.82 TRPV1 (0.67) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL9490469 0.79 MTNR1A (0.75) NQO2MTNR1AMTNR1BTRPV1
SCHEMBL6078577 0.76 ALDH1A1 (0.51) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL11481078 0.74 ALDH1A1 (0.62) ALDH1A1POLBLMNATP53BP1
SCHEMBL6076043 0.73 ALDH1A1 (0.48) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL3243689 0.71 ALDH1A1 (0.68) ALDH1A1POLBLMNASMN1; SMN2TP53
SCHEMBL5344432 0.71 MTNR1A (0.63) NQO2MTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL6075473 0.70 MTNR1A (0.74) NQO2MTNR1AMTNR1B
SCHEMBL11368205 0.69 POLB (0.62) ALDH1A1POLBLMNATP53TP53BP1

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 NQO2 66/4885MTNR1A 465/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR NQO2 66/4885MTNR1A 465/4885MTNR1B 414/4885

“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.