SCHEMBL3986640

SCHEMBL3986640

O=C(O)c1c(O)c2cc(C(=O)N3CCOCC3)ccc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.50
JAK1 P23458 3/20 0.50
TYK2 P29597 3/20 0.50
JAK3 P52333 3/20 0.50
PARP1 P09874 3/20 0.48
BTK Q06187 4/20 0.46
PKM P14618 1/20 0.46
B3GNT2 Q9NY97 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HPGD P15428 3/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44

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
SCHEMBL13598015 0.80 SERPINE1 (0.47) JAK2JAK1TYK2JAK3BTK
SCHEMBL4417699 0.77 KDM4E (0.58)
SCHEMBL6685720 0.72 PARP1 (0.63) JAK2JAK1TYK2JAK3PARP1
SCHEMBL15995019 0.71 TSHR (0.52) JAK2JAK1TYK2JAK3PARP1
SCHEMBL27997819 0.71 JAK2 (0.60) JAK2JAK1TYK2JAK3BTK
SCHEMBL28115351 0.70 JAK2 (0.60) JAK2JAK1TYK2JAK3PARP1
SCHEMBL13708850 0.70 GSK3B (0.54) HPGD
SCHEMBL3985035 0.70 GSK3B (0.54) JAK2JAK3BTKHPGD
SCHEMBL11375916 0.70 KDM4E (0.61)
SCHEMBL11379798 0.70 KDM4E (0.60) HPGD

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
CN-101495186-A Inhibitors of undecaprenyl pyrophosphate synthase NOVARTIS AG (CH) 2009-07-29 CN disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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 (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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 JAK2 4808/4885JAK1 4836/4885TYK2 4681/4885

“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.