SCHEMBL6040394

SCHEMBL6040394

O=C(NC[C@H]1CN(c2ccc(N3C=CSC(O)C3O)cc2)C(=O)O1)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42

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
SCHEMBL6619924 0.83 F10 (0.45) F10MAOAMAOB
SCHEMBL13428648 0.78 F10 (0.66) F10MAOAMAOBLMNAPTGS1
SCHEMBL5214903 0.78 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL12956275 0.76 MAOA (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL5838600 0.75 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6487750 0.75 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL1034798 0.75 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL1034799 0.75 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL5739169 0.74 F10 (0.51) F10MAOB
SCHEMBL12956100 0.74 MAOA (0.50) F10MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 F10 2380/4885MAOA 1179/4885MAOB 732/4885

“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.