SCHEMBL4393245

SCHEMBL4393245

O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGDR Q13258 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ GAA P10253 2/20 0.36

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
SCHEMBL4381279 0.86 PKM (0.49) PKMPOLBMAPTALDH1A1HPGD
SCHEMBL4382575 0.81 KMT2A (0.52) PKMPOLBMAPTALDH1A1MEN1
SCHEMBL4388922 0.80 L3MBTL1 (0.44) PKMPOLBALDH1A1HPGDMEN1
SCHEMBL4391478 0.79 PKM (0.52) PKMALDH1A1MEN1KMT2AKDM4E
SCHEMBL4392624 0.79 GAA (0.40) PKMMAPTALDH1A1HPGDMEN1
SCHEMBL4386376 0.79 ALDH1A1 (0.43) PKMMAPTALDH1A1HPGDMEN1
SCHEMBL4388038 0.79 MAPT (0.47) PKMMAPTALDH1A1HPGDMEN1
SCHEMBL4393768 0.78 KMT2A (0.47) PKMMEN1KMT2AHTR2ACYP2C9
SCHEMBL4385228 0.78 PKM (0.44) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL4385227 0.78 MEN1 (0.49) PKMMEN1KMT2ACYP2C9

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-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
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 PKM 2106/4885POLB 4671/4885MAPT 4378/4885

“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.

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