SCHEMBL4379004

SCHEMBL4379004

N#Cc1cc(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.44
▸ PKM P14618 4/20 0.40
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34

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
SCHEMBL4385228 0.87 PKM (0.44) PKMMAPTMAPK1ALDH1A1LMNA
SCHEMBL4388038 0.85 MAPT (0.47) SCN9APKMMAPTALDH1A1HPGD
SCHEMBL4381279 0.85 PKM (0.49) PKMMAPTALDH1A1LMNAKDM4E
SCHEMBL4380268 0.84 SCN9A (0.47) SCN9APKMMAPTCYP2C9GAA
SCHEMBL4382575 0.82 KMT2A (0.52) PKMMAPTALDH1A1LMNAL3MBTL1
SCHEMBL4392624 0.82 GAA (0.40) PKMMAPTMAPK1ALDH1A1LMNA
SCHEMBL4376961 0.82 PKM (0.50) PKMMAPTALDH1A1KDM4ETDP1
SCHEMBL4393768 0.81 KMT2A (0.47) PKMTDP1PKLRMEN1KMT2A
SCHEMBL4380728 0.81 GAA (0.51) PKMALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL4385272 0.80 PKM (0.54) PKMMAPTALDH1A1LMNAKDM4E

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 SCN9A 270/4885PKM 2106/4885MAPT 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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