SCHEMBL21209461

SCHEMBL21209461

CCN(C(=O)CN(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.32
NR4A1 P22736 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL23278504 0.78 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1756719 0.74 FFAR3 (0.33) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL24688320 0.71 ACE2 (0.41) CA1
SCHEMBL13434931 0.71 LMNA (0.55) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL13406583 0.69 LMNA (0.40) ALDH1A1LMNACA12CA1CA2
SCHEMBL22411437 0.67 TDP1 (0.38) POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8186197 0.67 LMNA (0.39) ALDH1A1LMNACA12CA1CA2
SCHEMBL24571484 0.65 CHRM2 (0.30)
N,N-Dimethylethanaminium SCHEMBL17385622 0.65 CA2 (0.37) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL2217350 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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 (2 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-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 POLB 3437/4885ALDH1A1 4754/4885SMN1; SMN2 3143/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR POLB 1803/4885ALDH1A1 4414/4885SMN1; SMN2 3489/4885

“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.