SCHEMBL4385241

SCHEMBL4385241

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=NOCCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 4/20 0.47
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GBA1 P04062 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4379438 0.86 HTT (0.51) HTTLMNAGAAPKMPKLR
SCHEMBL4385367 0.86 HTT (0.51) HTTLMNAALDH1A1USP2GAA
SCHEMBL4379552 0.85 LMNA (0.52) HTTLMNAALDH1A1USP2GAA
SCHEMBL3641286 0.84 ALDH1A1 (0.49) HTTLMNAALDH1A1GAAMEN1
SCHEMBL4381817 0.84 GAA (0.56) HTTLMNAGAAPKMPKLR
SCHEMBL2297519 0.83 HTT (0.53) HTTLMNAALDH1A1GAAPKM
SCHEMBL4382858 0.82 GAA (0.54) HTTLMNAALDH1A1GAAPKM
SCHEMBL2297393 0.82 LMNA (0.52) HTTLMNAALDH1A1GAAPKM
SCHEMBL4385551 0.82 CNR1 (0.53) HTTLMNAGAAPKMPKLR
SCHEMBL4384419 0.81 HTT (0.50) HTTLMNAALDH1A1USP2GAA

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 3 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

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 HTT 4042/4885LMNA 3822/4885ALDH1A1 2105/4885

“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.