SCHEMBL6040490

SCHEMBL6040490

CC(=S)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H](C)N3C=O)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
MAOA P21397 5/20 0.48
PTGS1 P23219 2/20 0.48
SDHA P31040 2/20 0.48
LMNA P02545 1/20 0.48
CALML3 P27482 1/20 0.48
F10 P00742 10/20 0.46

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
SCHEMBL6961161 0.92 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7599027 0.92 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040303 0.92 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6960132 0.85 MAOA (0.52) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6960123 0.85 MAOA (0.52) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040829 0.85 MAOB (0.52) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040470 0.84 MAOB (0.49) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6968031 0.79 MAOA (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6973261 0.79 MAOA (0.46) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040383 0.78 MAOB (0.49) MAOBMAOAPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP claimed
US-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents PHARMACIA & UPJOHN 2002-10-03 US claimed
US-6387896-B1 GRAMNEGATIVE, GRAMPOSITVE BACTERIA PHARMACIA & UPJOHN CO. 2002-05-14 US claimed
EP-1181288-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2002-02-27 EP claimed
WO-2000073301-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2000-12-07 WO claimed
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 US disclosed
EP-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP disclosed
US-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents PHARMACIA & UPJOHN 2002-10-03 US disclosed
US-6387896-B1 GRAMNEGATIVE, GRAMPOSITVE BACTERIA PHARMACIA & UPJOHN CO. 2002-05-14 US disclosed
EP-1181288-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2002-02-27 EP disclosed
WO-2000073301-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2000-12-07 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-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents OXA1L, MRPL21, RPS4Y1 MAOB 1600/4885MAOA 1716/4885PTGS1 1189/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOB 732/4885MAOA 1179/4885PTGS1 3194/4885

“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.