SCHEMBL4377730

SCHEMBL4377730

O=S(=O)(c1cccc(OC(F)F)c1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.41
LMNA P02545 3/20 0.41
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4391227 0.89 SCN9A (0.47) GPR183LMNACYP2C9GAAKDM2B
SCHEMBL4386376 0.88 ALDH1A1 (0.43) LMNACYP2C9PKMMAPK1MEN1
SCHEMBL4393768 0.87 KMT2A (0.47) GPR183CYP2C9GAAPKMMEN1
SCHEMBL4380728 0.85 GAA (0.51) GPR183CYP2C9GAAPKMMEN1
SCHEMBL4386137 0.83 GAA (0.53) LMNACYP2C9GAAPOLBTSHR
SCHEMBL4384919 0.83 HTT (0.48) LMNAGAAPKMTSHR
SCHEMBL4381279 0.83 PKM (0.49) LMNACYP2C9GAAPOLBPKM
SCHEMBL4380268 0.82 SCN9A (0.47) CYP2C9GAAPKMSCN9A
SCHEMBL4392624 0.82 GAA (0.40) LMNACYP2C9GAAPKMMAPK1
SCHEMBL4387410 0.82 KMT2A (0.53) LMNACYP2C9GAATSHRMAPK1

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 GPR183 597/4885LMNA 3822/4885CYP2C9 114/4885

“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.