SCHEMBL5656857

SCHEMBL5656857

CS(=O)(=O)OC[C@H]1CN(c2cc(F)c(C3=CCS(O)(O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.44
MAOB P27338 1/20 0.36
CALML3 P27482 3/20 0.35
GRM2 Q14416 2/20 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
SCHEMBL5232671 0.90 MAOA (0.52) MAOAMAOBCALML3GRM2
SCHEMBL5656454 0.85 CALML3 (0.47) MAOAMAOBCALML3
SCHEMBL2891056 0.77 MAOB (0.44) MAOAMAOBCALML3GRM2
SCHEMBL1222291 0.76 MAOB (0.50) MAOAMAOBCALML3GRM2
SCHEMBL1222294 0.76 MAOB (0.50) MAOAMAOBCALML3GRM2
SCHEMBL4305527 0.76 GRM2 (0.40) MAOBGRM2
SCHEMBL7116724 0.76 GRM2 (0.45) MAOBGRM2
SCHEMBL7116727 0.76 GRM2 (0.45) MAOBGRM2
SCHEMBL4013083 0.75 MAOA (0.58) MAOAMAOBCALML3
SCHEMBL10316198 0.75 MAOA (0.44) MAOAMAOBCALML3GRM2

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-7199143-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-04-03 US disclosed
US-20050182112-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-08-18 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-20050182112-A1 Chemical compounds CYP8B1, H1-0, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOA 470/4885MAOB 355/4885CALML3 4065/4885

“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.