SCHEMBL4382855

SCHEMBL4382855

COc1ccc(OC)c(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
CCR3 P51677 2/20 0.51
CCR5 P51681 1/20 0.51
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4377015 0.88 PKM (0.46) KMT2ATSHRKDM4EALDH1A1MAPT
SCHEMBL4391478 0.84 PKM (0.52) KMT2ATSHRKDM4EALDH1A1LMNA
SCHEMBL4393934 0.84 PKM (0.58) KMT2ATSHRKDM4EALDH1A1MAPT
SCHEMBL4378960 0.80 PKM (0.43) TSHRKDM4EALDH1A1MAPT
SCHEMBL4385272 0.80 PKM (0.54) KMT2ATSHRKDM4EALDH1A1MAPT
SCHEMBL4377766 0.78 NR3C1 (0.40) KMT2ATSHRKDM4EALDH1A1MAPT
SCHEMBL4381279 0.78 PKM (0.49) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL4392624 0.77 GAA (0.40) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL4383725 0.77 HSD11B1 (0.44) KMT2ATSHRALDH1A1MAPTLMNA
SCHEMBL4380941 0.76 CHRM1 (0.39) KMT2AALDH1A1L3MBTL1SMN1; SMN2

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 KMT2A 2079/4885CCR3 841/4885CCR5 1902/4885

“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.