SCHEMBL6607865

SCHEMBL6607865

CC(=S)NC[C@H]1CN(c2ccc(C3(C#N)CC3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 14/20 0.43
SIGMAR1 Q99720 2/20 0.42
GRM2 Q14416 1/20 0.41
ITGB3 P05106 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
ITGA2B P08514 2/20 0.41
PRSS3 P35030 2/20 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
SCHEMBL6608501 0.91 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6608545 0.90 F10 (0.44) F10SIGMAR1GRM2
SCHEMBL6638749 0.90 F10 (0.42) F10SIGMAR1GRM2
SCHEMBL6607774 0.90 F10 (0.43) F10SIGMAR1ITGB3PRSS1PRSS2
SCHEMBL6635493 0.90 F10 (0.43) F10SIGMAR1ITGB3PRSS1PRSS2
SCHEMBL6678975 0.90 F10 (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7049560 0.88 F10 (0.42) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6608985 0.87 F10 (0.46) F10GRM2
SCHEMBL6606571 0.85 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6607525 0.84 F10 (0.43) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP claimed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US claimed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US claimed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO claimed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 MAOA 3188/4885MAOB 2277/4885LMNA 4215/4885

“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.