SCHEMBL13409128

SCHEMBL13409128

CN(C)CCNc1cnc(-n2ccc3cc(N(CC(=O)OC(C)(C)C)Sc4cc(Cl)cc(Br)c4)ccc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DGAT1 O75907 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL13409214 0.91 TMEM97 (0.34) TMEM97SIGMAR1IRAK4
SCHEMBL13409495 0.90 DGAT1 (0.31) DGAT1
SCHEMBL13409689 0.87 KDM4E (0.36) TMEM97SIGMAR1DGAT1IRAK4
SCHEMBL13409218 0.86 TMEM97 (0.35) TMEM97SIGMAR1
SCHEMBL13409279 0.86 TMEM97 (0.36) TMEM97SIGMAR1DGAT1IRAK4
SCHEMBL13390132 0.85 IRAK4 (0.31) DGAT1IRAK4
SCHEMBL13409602 0.83 TMEM97 (0.35) TMEM97SIGMAR1DGAT1IRAK4
SCHEMBL13409197 0.83 TMEM97 (0.33) TMEM97SIGMAR1
SCHEMBL13390120 0.81 PKM (0.32)
SCHEMBL13390343 0.81 IRAK4 (0.33) TMEM97SIGMAR1DGAT1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 TMEM97 3706/4885SIGMAR1 840/4885DGAT1 3856/4885

“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.