SCHEMBL14490010

SCHEMBL14490010

Cc1ccc(S(=O)(=O)OCCCN(CCCO)C[C@H]2CN(c3cccc(F)c3)C(=O)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
FADS1 O60427 2/20 0.38
PTGS2 P35354 3/20 0.36
CALML3 P27482 1/20 0.35

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
SCHEMBL14490011 0.85 GRM2 (0.58) GRM2MAOAMAOBFADS1CALML3
SCHEMBL8860802 0.81 GRM2 (0.55) GRM2MAOAMAOBFADS1
SCHEMBL8594767 0.81 GRM2 (0.55) GRM2MAOAMAOBFADS1
SCHEMBL1077611 0.70 GRM2 (0.70) GRM2MAOAMAOBFADS1CALML3
SCHEMBL1032517 0.70 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL1557298 0.70 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL3087781 0.70 MAOA (0.71) GRM2MAOAMAOBFADS1CALML3
SCHEMBL4163689 0.70 GRM2 (0.60) GRM2MAOAMAOBFADS1
SCHEMBL3181922 0.70 GRM2 (0.60) GRM2MAOAMAOBFADS1
SCHEMBL8594769 0.68 MAOA (0.54) GRM2MAOAMAOBFADS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-06-28 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 (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-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same PAICS, MAP2K4, GIPR GRM2 4501/4885MAOA 1209/4885MAOB 1137/4885

“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.