SCHEMBL4386335

SCHEMBL4386335

O=S(=O)(CCN1CCOCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EPHX2 P34913 2/20 0.39
GAA P10253 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL8218596 0.81 KMT2A (0.48) TRPV4KDM4EKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4387884 0.81 KMT2A (0.48) TRPV4KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL4382904 0.80 LMNA (0.45) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4385367 0.78 HTT (0.51) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4384916 0.78 MAOB (0.46) ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL4391011 0.77 LMNA (0.54) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4379445 0.77 LMNA (0.41) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4379552 0.77 LMNA (0.52) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL13588947 0.77 KMT2A (0.45) TRPV4KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL4394032 0.77 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1LMNASMN1; SMN2

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 TRPV4 13/4885KDM4E 560/4885KMT2A 2079/4885

“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.