SCHEMBL6040255

SCHEMBL6040255

O=C(O)C1CN(c2ccc(C3CCSCC3)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
MAOA P21397 2/20 0.41
FADS1 O60427 1/20 0.39
F2 P00734 3/20 0.37
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
DGAT1 O75907 2/20 0.35
GRM2 Q14416 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL5762074 1.00 F10 (0.45) F10MAOAFADS1F2IKBKE
SCHEMBL3045229 0.90 MAOA (0.51) F10MAOAFADS1IKBKETBK1
SCHEMBL6620549 0.84 F10 (0.40) F10MAOAFADS1F2GRM2
SCHEMBL6646055 0.84 F10 (0.40) F10MAOAFADS1F2GRM2
SCHEMBL6617376 0.84 F10 (0.40) F10MAOAFADS1F2GRM2
SCHEMBL5763275 0.82 F10 (0.41) F10MAOAFADS1F2DGAT1
SCHEMBL5766169 0.82 F10 (0.41) F10MAOAFADS1F2DGAT1
SCHEMBL5763281 0.82 F10 (0.41) F10MAOAFADS1F2DGAT1
SCHEMBL6614875 0.82 MAOA (0.44) F10MAOAF2GRM2MAOB
SCHEMBL3039286 0.82 MAOA (0.44) F10MAOAF2GRM2MAOB

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 1179/4885FADS1 318/4885

“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.