SCHEMBL4386137

SCHEMBL4386137

NC(=O)c1cccc(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
AKR1C3 P42330 3/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
IL1RN P18510 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL13589027 0.89 L3MBTL1 (0.48) GAAALDH1A1CYP2C9L3MBTL1KMT2A
SCHEMBL4387410 0.89 KMT2A (0.53) GAAAKR1C3ALDH1A1LMNACYP2C9
SCHEMBL4382785 0.88 AKR1C3 (0.52) GAAAKR1C3ALDH1A1CYP2C9L3MBTL1
SCHEMBL4386149 0.88 AKR1C3 (0.52) GAAAKR1C3ALDH1A1LMNACYP2C9
SCHEMBL4393768 0.87 KMT2A (0.47) GAAAKR1C3CYP2C9KMT2AMEN1
SCHEMBL8225146 0.86 KMT2A (0.46) GAAAKR1C3ALDH1A1CYP2C9L3MBTL1
SCHEMBL4387482 0.85 AKR1C3 (0.43) GAAAKR1C3LMNACYP2C9L3MBTL1
SCHEMBL4380728 0.84 GAA (0.51) GAAALDH1A1CYP2C9L3MBTL1KMT2A
SCHEMBL4377730 0.83 GPR183 (0.41) GAAALDH1A1LMNACYP2C9KMT2A
SCHEMBL4384919 0.82 HTT (0.48) GAALMNATSHRHTTSMN1; 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 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 GAA 3245/4885AKR1C3 416/4885ALDH1A1 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.