SCHEMBL3326519

SCHEMBL3326519

CC(C)(C)[Si](C)(C)OC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.45
MAOA P21397 8/20 0.44
GRM2 Q14416 4/20 0.41
MAOB P27338 5/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41

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
SCHEMBL3427247 1.00 CALML3 (0.45) CALML3MAOAGRM2MAOBLMNA
SCHEMBL3200191 0.87 CALML3 (0.45) CALML3MAOAGRM2MAOBLMNA
SCHEMBL440920 0.87 CALML3 (0.45) CALML3MAOAGRM2MAOBLMNA
SCHEMBL542136 0.87 CALML3 (0.47) CALML3MAOAGRM2MAOBLMNA
SCHEMBL3328227 0.86 CALML3 (0.44) CALML3MAOAGRM2MAOBLMNA
SCHEMBL3327125 0.84 GRM2 (0.48) GRM2
SCHEMBL4564670 0.84 GRM2 (0.48) GRM2
SCHEMBL17811402 0.82 CALML3 (0.47) CALML3MAOAGRM2MAOBLMNA
SCHEMBL3194729 0.81 CALML3 (0.41) CALML3MAOAGRM2MAOBLMNA
SCHEMBL3198635 0.81 CALML3 (0.41) CALML3MAOAGRM2MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
EP-1427711-B1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-07-13 EP disclosed
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2005-05-19 US disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed
EP-1427711-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022824-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-03-20 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 (5 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CALML3 3370/4885MAOA 2977/4885GRM2 3338/4885
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents CYP8B1, HRH2, CYP2W1 CALML3 4624/4885MAOA 482/4885GRM2 2199/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 CALML3 4637/4885MAOA 800/4885GRM2 2354/4885
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L CALML3 3443/4885MAOA 2435/4885GRM2 3644/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CALML3 3370/4885MAOA 2977/4885GRM2 3338/4885

“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.