SCHEMBL6040342

SCHEMBL6040342

CCC(=S)NC[C@H]1CN(c2ccc(C3CCS(=O)(=NC)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 6/20 0.47
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 10/20 0.45

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
SCHEMBL6040748 0.94 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7800437 0.92 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040455 0.92 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040399 0.92 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040434 0.91 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040296 0.91 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040241 0.90 MAOA (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7804227 0.90 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040291 0.90 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040243 0.90 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3

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 726/4885MAOA 923/4885LMNA 4780/4885
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 1179/4885LMNA 3862/4885

“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.