SCHEMBL4380262

SCHEMBL4380262

COc1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C#N)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CCR6 P51684 3/20 0.46
PKM P14618 4/20 0.45
PKLR P30613 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ADAM17 P78536 2/20 0.43
MMP1 P03956 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.42
GRM5 P41594 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL13589015 0.91 CYP3A4 (0.43) LMNAALDH1A1MAPK1PKMPKLR
SCHEMBL4382627 0.91 ADAM17 (0.42) LMNAALDH1A1TSHRMAPK1PKM
SCHEMBL4382363 0.89 GPBAR1 (0.47) LMNAALDH1A1TSHRMAPK1PKM
SCHEMBL4391254 0.89 ADAM17 (0.44) LMNATSHRMAPK1PKML3MBTL1
SCHEMBL8225081 0.88 RORC (0.43) ALDH1A1PKML3MBTL1ADAM17MMP1
SCHEMBL4384704 0.88 L3MBTL1 (0.45) L3MBTL1ADAM17MMP1
SCHEMBL4388230 0.88 MEN1 (0.46) LMNAALDH1A1ADAM17MMP1HTT
SCHEMBL4376937 0.88 ADAM17 (0.45) LMNATSHRMAPK1L3MBTL1ADAM17
SCHEMBL4386136 0.88 ADAM17 (0.43) LMNAALDH1A1TSHRMAPK1PKM
SCHEMBL4385773 0.88 ADAM17 (0.43) LMNAALDH1A1PKMPOLBADAM17

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 LMNA 3822/4885ALDH1A1 2105/4885TSHR 1691/4885

“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.