SCHEMBL1996572

SCHEMBL1996572

CC(C)(C)N(C(=O)O)C1CSc2ccccc2N(Cc2cc(F)cc(F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ACE P12821 4/20 0.36
MME P08473 3/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.35
F2 P00734 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL1996571 1.00 XIAP (0.44) XIAPKMT2ATSHRMEN1MAPT
SCHEMBL2004057 0.90 XIAP (0.48) XIAPKMT2ATSHRMEN1ALDH1A1
SCHEMBL2004060 0.90 XIAP (0.48) XIAPKMT2ATSHRMEN1ALDH1A1
SCHEMBL2279348 0.82 NPY1R (0.45) XIAPKMT2AMEN1ACEMME
SCHEMBL2236369 0.81 KMT2A (0.44) XIAPKMT2ATSHRMEN1MAPT
SCHEMBL1999440 0.78 RIPK1 (0.42) XIAPKMT2AMEN1TP53SMN1; SMN2
SCHEMBL1999442 0.78 RIPK1 (0.42) XIAPKMT2AMEN1TP53SMN1; SMN2
SCHEMBL3157917 0.77 XIAP (0.56) XIAPTSHRACEMMEF2
SCHEMBL3157911 0.77 XIAP (0.56) XIAPTSHRACEMMEF2
SCHEMBL5223108 0.76 TSHR (0.49) XIAPKMT2ATSHRMEN1MAPT

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-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 XIAP 643/4885KMT2A 203/4885TSHR 4201/4885

“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.