SCHEMBL4328480

SCHEMBL4328480

O=C(O)C(O)C1Sc2ccccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.56
GLA P06280 1/20 0.56
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
USP2 O75604 1/20 0.52
ESR1 P03372 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
PTPN7 P35236 1/20 0.52
RECQL P46063 1/20 0.52
ESR2 Q92731 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
HTT P42858 2/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4333225 0.84 MAPT (0.50) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL4328406 0.80 KDM4E (0.64) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL4969852 0.77 MAPT (0.51) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL11034753 0.73 HSD17B10 (0.61) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL4328755 0.72 HSD17B10 (1.00) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL10358553 0.72 KDM4E (0.51) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL3626456 0.70 CA2 (0.62) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL24125191 0.69 CREBBP (0.57) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL4325934 0.69 HSD17B10 (0.53) HSD17B10GLAKDM4ETDP1POLB
SCHEMBL9024189 0.69 HSD17B10 (0.53) HSD17B10GLAKDM4ETDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
CN-100471856-C Bicyclic compounds and compostions as PDF inhibitors IRM LLC (BM) 2009-03-25 CN disclosed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
CN-1860116-A Bicyclic compounds and compostions as pdf inhibitors IRM LLC (BM) 2006-11-08 CN disclosed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US disclosed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 HSD17B10 2730/4885GLA 3483/4885KDM4E 1224/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 HSD17B10 1950/4885GLA 4209/4885KDM4E 1204/4885

“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.