SCHEMBL408875

SCHEMBL408875

COC(=O)C1CCC(C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
BTK Q06187 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.37
BRD4 O60885 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
STS P08842 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL5505807 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10BTKNR1H2NR1H3
SCHEMBL3240371 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL2680322 0.90 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL7874236 0.90 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL8120922 0.88 HSD17B10 (0.51) SMN1; SMN2HSD17B10BTKNR1H2POLB
SCHEMBL5521638 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL5521636 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL5521633 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NR1H2NR1H3PTPN1
SCHEMBL10592282 0.87 HSD17B10 (0.42) SMN1; SMN2HSD17B10BTKNR1H2NR1H3
SCHEMBL20212525 0.87 HSD17B10 (0.42) SMN1; SMN2HSD17B10BTKNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT SMN1; SMN2 2301/4885HSD17B10 168/4885BTK 4727/4885

“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.