SCHEMBL6040314

SCHEMBL6040314

CC(=O)NC[C@H]1CN(c2ccc(C3CCS(=O)(=NC(=O)NCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.51
MAOB P27338 3/20 0.50
PTGS1 P23219 2/20 0.50
SDHA P31040 2/20 0.50
LMNA P02545 1/20 0.50
CALML3 P27482 1/20 0.50
F10 P00742 3/20 0.43

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
SCHEMBL6040917 0.88 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5209849 0.84 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040278 0.82 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7804227 0.80 MAOB (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040455 0.80 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040206 0.80 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040243 0.80 MAOB (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396910 0.80 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396915 0.80 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397304 0.80 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA

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 MAOA 923/4885MAOB 726/4885PTGS1 311/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885MAOB 732/4885PTGS1 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.