SCHEMBL3833955

SCHEMBL3833955

O=C(O)C(=O)c1cc(F)cc2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.38
XDH P47989 3/20 0.38
CES2 O00748 5/20 0.36
CES1 P23141 5/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KEAP1 Q14145 1/20 0.33
KCNA3 P22001 1/20 0.33
RORC P51449 1/20 0.32
GYS1 P13807 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
P4HB P07237 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL4823128 0.86 SLC22A12 (0.46) SLC22A12XDHKDM4EHSD17B10KEAP1
SCHEMBL16844542 0.81 MAPT (0.40) SLC22A12XDHKDM4EPOLBMAPT
SCHEMBL30367823 0.81 PARP1 (0.43) SLC22A12XDHKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL28438885 0.79 PARP1 (0.44) SLC22A12XDHKDM4EPOLBMAPT
SCHEMBL3837130 0.78 KCNA3 (0.43) SLC22A12KDM4EPOLBMAPTHSD17B10
SCHEMBL2263622 0.77 MAPT (0.41) PTPN1KDM4EPOLBMAPTHSD17B10
SCHEMBL3832066 0.75 PTPN1 (0.41) PTPN1POLBHSD17B10KEAP1RORC
SCHEMBL4992573 0.71 MEN1 (0.47) PTPN1KDM4EMAPTHSD17B10
SCHEMBL7481290 0.71 CA9 (0.44) SLC22A12XDHPTPN1KDM4EPOLB
Oxalic Acid SCHEMBL5987436 0.70 MEN1 (0.36) SLC22A12XDHKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 SLC22A12 2344/4885XDH 346/4885CES2 3398/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 SLC22A12 2344/4885XDH 346/4885CES2 3398/4885

“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.