SCHEMBL1031591

SCHEMBL1031591

CC(=O)NC[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
MAOB P27338 4/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 4/20 0.51

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
SCHEMBL1031592 1.00 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5917572 0.91 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13150910 0.90 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL12956323 0.89 F10 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5911 0.89 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14026917 0.87 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3195071 0.87 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14838111 0.86 CALML3 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL411137 0.86 CALML3 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13528070 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677679-A Oxazolidinone compound containing biaryl hydrazone structure and preparation method and application thereof 沈阳药科大学 2023-02-03 CN disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9487545-B2 Fused ring-containing oxazolidinones antibiotics Xuanzhu Pharma Co., Ltd. (CN) 2016-11-08 US disclosed
US-9487545-B2 Fused ring-containing oxazolidinones antibiotics Xuanzhu Pharma Co., Ltd. (CN) 2016-11-08 US disclosed
US-9487545-B2 Fused ring-containing oxazolidinones antibiotics Xuanzhu Pharma Co., Ltd. (CN) 2016-11-08 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
EP-1660465-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES Rib-X Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
WO-2005012271-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO 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 (2 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-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 MAOA 293/4885MAOB 168/4885PTGS1 296/4885
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 MAOA 1154/4885MAOB 1493/4885PTGS1 3476/4885

“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.