SCHEMBL6040286

SCHEMBL6040286

NC(=O)C1CN(c2ccc(C3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.78
MAOB P27338 4/20 0.43
F10 P00742 4/20 0.40
CALML3 P27482 6/20 0.38
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36

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
SCHEMBL3041136 1.00 MAOA (0.78) MAOAMAOBF10CALML3LMNA
SCHEMBL3039167 0.92 MAOA (0.87) MAOAMAOBF10CALML3LMNA
SCHEMBL5764719 0.91 MAOA (0.65) MAOAMAOBF10CALML3LMNA
SCHEMBL13515434 0.89 MAOA (0.81) MAOAMAOBF10CALML3LMNA
SCHEMBL5766156 0.88 MAOA (1.00) MAOAMAOBF10CALML3LMNA
SCHEMBL3035242 0.88 MAOA (1.00) MAOAMAOBF10CALML3LMNA
SCHEMBL5738263 0.88 MAOA (0.80) MAOAMAOBF10CALML3LMNA
SCHEMBL5738372 0.88 MAOA (0.80) MAOAMAOBF10CALML3LMNA
SCHEMBL3045670 0.87 MAOA (0.60) MAOAMAOBF10CALML3LMNA
SCHEMBL5795229 0.87 MAOA (0.69) MAOAMAOBF10CALML3LMNA

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 MAOA 1179/4885MAOB 732/4885F10 2380/4885

“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.