SCHEMBL6040554

SCHEMBL6040554

CCCC(=S)NC[C@H]1CN(c2ccc(N3CCS(=N)(=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.61
MAOB P27338 8/20 0.58
MAOA P21397 4/20 0.58
LMNA P02545 1/20 0.58
PTGS1 P23219 1/20 0.58
CALML3 P27482 1/20 0.58
SDHA P31040 1/20 0.58

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
SCHEMBL7804233 0.93 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL6040277 0.90 MAOB (0.65) F10MAOBMAOALMNAPTGS1
SCHEMBL7949979 0.87 MAOB (0.75) F10MAOBMAOALMNAPTGS1
SCHEMBL7949974 0.87 MAOB (0.75) F10MAOBMAOALMNAPTGS1
SCHEMBL7794364 0.87 MAOA (0.76) F10MAOBMAOALMNAPTGS1
SCHEMBL6040639 0.86 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL7710415 0.85 MAOB (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7704208 0.85 MAOB (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7710431 0.85 MAOB (0.68) F10MAOBMAOALMNAPTGS1
SCHEMBL7710435 0.85 MAOB (0.68) F10MAOBMAOALMNAPTGS1

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 2380/4885MAOB 732/4885MAOA 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.