SCHEMBL4382795

SCHEMBL4382795

Cc1nc(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FPR2 P25090 1/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL4382549 0.84 TP53 (0.46) PKMTP53POLB
SCHEMBL4381279 0.79 PKM (0.49) THRBMEN1KMT2APKMALDH1A1
SCHEMBL4385542 0.78 KDM4E (0.41) PTGDR2MEN1KMT2APKMPOLB
SCHEMBL4377766 0.77 NR3C1 (0.40) TDP1MEN1KMT2APKMSMN1; SMN2
SCHEMBL4378960 0.76 PKM (0.43) PKMALDH1A1
SCHEMBL4392624 0.76 GAA (0.40) THRBMEN1KMT2APKMALDH1A1
SCHEMBL4383070 0.76 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL4380325 0.75 L3MBTL1 (0.35) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL8212403 0.75 MEN1 (0.33) THRBMEN1KMT2APKMSMN1; SMN2
SCHEMBL4390159 0.74 MEN1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1

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 THRB 1517/4885PTGDR2 203/4885TDP1 4077/4885

“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.

Send feedback