SCHEMBL4758434

SCHEMBL4758434

COCC(=O)OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CO)C3)nc2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 18/20 0.62
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.54

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
SCHEMBL14559468 0.98 MAOA (0.65) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL6071169 0.93 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5407026 0.93 MAOA (0.62) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4757630 0.92 MAOA (0.65) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5410743 0.92 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5415678 0.92 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL6071596 0.92 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL14559469 0.92 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL6070815 0.91 MAOA (0.70) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL14559473 0.91 MAOA (0.62) MAOACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 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-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 MAOA 1154/4885CYP3A4 123/4885CYP2D6 65/4885

“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.