SCHEMBL412834

SCHEMBL412834

CS(=O)(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4CCOC4=O)nc3)c(F)c2F)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
MAOA P21397 7/20 0.35
MAOB P27338 3/20 0.35
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
CALML3 P27482 3/20 0.34
CYP2C19 P33261 2/20 0.34
F10 P00742 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL412683 0.87 MAOA (0.44) MAOAMAOBEEDSUZ12EZH2
SCHEMBL412112 0.86 CALML3 (0.50) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL412791 0.86 GRM5 (0.36) GRM5MAOAMAOBEEDSUZ12
SCHEMBL412857 0.84 GRM5 (0.35) GRM5MAOAMAOBEEDSUZ12
SCHEMBL463353 0.83 F10 (0.44) MAOAMAOBCALML3F10
SCHEMBL412830 0.79 CYP2E1 (0.34) MAOAMAOBEEDSUZ12EZH2
SCHEMBL463412 0.78 CYP2E1 (0.51) MAOAMAOBEEDSUZ12EZH2
SCHEMBL412048 0.75 MAOA (0.44) GRM5MAOAMAOBCALML3CYP2C19
SCHEMBL412794 0.74 TDO2 (0.46) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL412968 0.74 MAOA (0.37) GRM5MAOAMAOBCALML3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP GRM5 4129/4885MAOA 853/4885MAOB 427/4885

“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.