SCHEMBL6423010

SCHEMBL6423010

CC(C)(C)[Si](OC[C@H]1[C@H]2CC=C(OS(=O)(=O)C(F)(F)F)[C@H]21)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.35
AKR1C3 P42330 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6337190 1.00 SMYD2 (0.35) SMYD2AKR1C3CYP3A4HTTSMN1; SMN2
SCHEMBL6337193 1.00 SMYD2 (0.35) SMYD2AKR1C3CYP3A4HTTSMN1; SMN2
SCHEMBL6423008 1.00 SMYD2 (0.35) SMYD2AKR1C3CYP3A4HTTSMN1; SMN2
SCHEMBL6337191 1.00 SMYD2 (0.35) SMYD2AKR1C3CYP3A4HTTSMN1; SMN2
SCHEMBL6345134 0.80 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2DRD2
SCHEMBL6345131 0.80 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2DRD2
SCHEMBL5463435 0.80 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2DRD2
SCHEMBL5463430 0.80 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2DRD2
SCHEMBL5463439 0.80 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2DRD2
SCHEMBL30558125 0.77 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 US disclosed
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP disclosed
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 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 (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-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR SMYD2 4868/4885AKR1C3 298/4885CYP3A4 157/4885

“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.