SCHEMBL4377542

SCHEMBL4377542

O=S(=O)(c1ccsc1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.33

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 0.87 PKM (0.49) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4392624 0.84 GAA (0.40) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4382575 0.82 KMT2A (0.52) PKMMEN1KMT2AGAAMAPT
SCHEMBL4393768 0.81 KMT2A (0.47) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4385228 0.81 PKM (0.44) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4384548 0.80 PKM (0.56) PKMNPSR1MEN1KMT2AGAA
SCHEMBL4391478 0.80 PKM (0.52) PKMMEN1KMT2AGAAALDH1A1
SCHEMBL4386376 0.79 ALDH1A1 (0.43) PKMCYP2C9MEN1KMT2AMAPT
SCHEMBL4388038 0.79 MAPT (0.47) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4388922 0.78 L3MBTL1 (0.44) PKMCYP2C9MEN1KMT2AGAA

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 2106/4885CYP2C9 114/4885NPSR1 224/4885

“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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