SCHEMBL5344896

SCHEMBL5344896

COc1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(N)S(=O)(=O)CC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SCN9A Q15858 1/20 0.44
CACNA1B Q00975 2/20 0.42
MEN1 O00255 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5350147 1.00 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5364189 0.99 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5349839 0.85 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5351214 0.85 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5355900 0.85 NPC1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5348809 0.81 SMN1; SMN2 (0.45) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5350928 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5354039 0.79 KMT2A (0.51) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5344893 0.77 CACNA1B (0.51) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5350143 0.77 CACNA1B (0.51) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ALDH1A1 3065/4885KMT2A 1929/4885SMN1; SMN2 297/4885

“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.