SCHEMBL4380227

SCHEMBL4380227

COC(=O)c1cccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.56
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
SCN9A Q15858 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41
AKR1C3 P42330 1/20 0.41
EPHX2 P34913 2/20 0.41
LIPE Q05469 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL4385844 0.91 SCN9A (0.52) MRGPRX4GAACYP2C9KMT2AALDH1A1
SCHEMBL4384418 0.91 MRGPRX4 (0.54) MRGPRX4GAACYP2C9KMT2AALDH1A1
SCHEMBL4385286 0.90 CYP2C9 (0.48) MRGPRX4GAACYP2C9KMT2AALDH1A1
SCHEMBL4383670 0.90 CYP2C9 (0.43) MRGPRX4GAACYP2C9KMT2AALDH1A1
SCHEMBL4380572 0.84 MEN1 (0.43) GAACYP2C9KMT2AALDH1A1MEN1
SCHEMBL4391160 0.84 KMT2A (0.55) GAAKMT2AALDH1A1MEN1EPHX1
SCHEMBL4383719 0.84 MEN1 (0.42) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL4388925 0.84 GBA1 (0.45) GAACYP2C9KMT2AALDH1A1MEN1
SCHEMBL4388230 0.82 MEN1 (0.46) GAACYP2C9KMT2AALDH1A1MEN1
SCHEMBL4395594 0.80 MEN1 (0.39) CYP2C9KMT2AALDH1A1POLBMEN1

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 5 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

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 MRGPRX4 1288/4885GAA 3245/4885CYP2C9 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.