SCHEMBL2928780

SCHEMBL2928780

COC(=O)CC(N[S+]([O-])C(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.44
TACR3 P29371 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38

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
SCHEMBL25753667 0.85 KCNA5 (0.37) KCNA5TACR3
SCHEMBL25753673 0.85 WDR5 (0.43) KMT2AMEN1ALDH1A1
SCHEMBL18511287 0.85 KCNA5 (0.50) KCNA5
SCHEMBL24036985 0.85 KCNA5 (0.47) KCNA5KMT2AMEN1POLBALDH1A1
SCHEMBL25623356 0.85 KCNA5 (0.37) KCNA5TACR3
SCHEMBL24036979 0.85 WDR5 (0.43) KMT2AMEN1ALDH1A1
SCHEMBL25753676 0.85 KCNA5 (0.47) KCNA5KMT2AMEN1POLBALDH1A1
SCHEMBL25753692 0.84 EEF2K (0.45) KMT2AMEN1POLB
SCHEMBL24036809 0.84 EEF2K (0.45) KMT2AMEN1POLB
SCHEMBL24036741 0.83 KDM4E (0.38) KCNA5KMT2AMEN1POLBROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431602-B2 Beta-amino acid derivatives for treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US disclosed
EP-2231640-B1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
US-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-30 US disclosed
EP-2231640-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-09-29 EP disclosed
WO-2009092432-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-07-30 WO 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-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES GPR119, GLS, GCKR KCNA5 953/4885TACR3 1851/4885KMT2A 3191/4885

“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.