SCHEMBL412112

SCHEMBL412112

CS(=O)(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4CCOC4=O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.50
MAOA P21397 12/20 0.49
MAOB P27338 2/20 0.49
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL411101 0.87 CALML3 (0.66) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL13944894 0.87 CALML3 (0.50) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL412747 0.86 CALML3 (0.56) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL412834 0.86 GRM5 (0.37) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411105 0.86 CALML3 (0.51) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL13944916 0.86 CALML3 (0.49) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6625009 0.84 MAOA (0.49) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL411618 0.84 CALML3 (0.49) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL463725 0.83 MAOA (0.50) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL442982 0.83 MAOA (0.60) CALML3MAOAMAOBCYP2C19CYP3A4

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 CALML3 1652/4885MAOA 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.