SCHEMBL5388907

SCHEMBL5388907

O=C(CCCCC1SCC2NC(=O)NC21)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
PTPRF P10586 2/20 0.49
PTPN2 P17706 2/20 0.49
PTPN1 P18031 2/20 0.49
SLC6A3 Q01959 2/20 0.47
TDP1 Q9NUW8 3/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 2/20 0.44
SLC18A3 Q16572 1/20 0.44
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
IDE P14735 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RIN1 Q13671 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14428340 1.00 CA12 (0.54) CA12CA1CA2CA9PTPRF
SCHEMBL5395840 0.88 CA12 (0.48) CA12CA1CA2CA9PTPRF
SCHEMBL14428342 0.88 CA12 (0.48) CA12CA1CA2CA9PTPRF
SCHEMBL2248946 0.81 CA12 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL14428341 0.78 CA12 (0.70) CA12CA1CA2CA9PTPRF
SCHEMBL3125346 0.77 CA12 (0.47) CA12CA1CA2CA9PTPRF
SCHEMBL1009859 0.77 FOLH1 (0.56) TDP1KMT2A
SCHEMBL12372459 0.75 FOLH1 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL31003995 0.75 FOLH1 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL19514702 0.75 FOLH1 (0.60) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 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 (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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 CA12 4832/4885CA1 4865/4885CA2 4432/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CA12 4536/4885CA1 4538/4885CA2 3795/4885

“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.