SCHEMBL6040639

SCHEMBL6040639

N=S1(=O)CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.63
F10 P00742 15/20 0.62
MAOA P21397 2/20 0.57
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57

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
SCHEMBL6040277 0.90 MAOB (0.65) MAOBF10MAOALMNAPTGS1
SCHEMBL7474455 0.90 MAOB (0.61) MAOBF10MAOALMNAPTGS1
SCHEMBL7804233 0.90 F10 (0.62) MAOBF10MAOALMNAPTGS1
SCHEMBL7156733 0.87 MAOB (0.81) MAOBF10MAOALMNAPTGS1
SCHEMBL6040508 0.87 MAOB (0.81) MAOBF10MAOALMNAPTGS1
SCHEMBL7794364 0.86 MAOA (0.76) MAOBF10MAOALMNAPTGS1
SCHEMBL7943414 0.86 MAOB (0.75) MAOBF10MAOALMNAPTGS1
SCHEMBL7528156 0.86 MAOB (0.75) MAOBF10MAOALMNAPTGS1
SCHEMBL6040554 0.86 F10 (0.61) MAOBF10MAOALMNAPTGS1
SCHEMBL6040292 0.86 MAOB (0.49) MAOBF10MAOALMNAPTGS1

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-20010046987-A1 Oxazolidinones having a sulfoximine functionality PHARMACIA & UPJOHN COMPANY 2001-11-29 US 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
US-20010046987-A1 Oxazolidinones having a sulfoximine functionality PHARMACIA & UPJOHN COMPANY 2001-11-29 US 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-20010046987-A1 Oxazolidinones having a sulfoximine functionality OXA1L, SULT1A1, SULT1E1 MAOB 726/4885F10 2274/4885MAOA 923/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOB 732/4885F10 2380/4885MAOA 1179/4885

“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.