SCHEMBL17205682

SCHEMBL17205682

CS(=O)(=O)OC1CCC(N2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.37
RORC P51449 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
OPRL1 P41146 2/20 0.34
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL17205680 1.00 SMN1; SMN2 (0.39) SMN1; SMN2IRAK4RORCKDM4EALDH1A1
SCHEMBL20503412 0.83 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL26105692 0.79 HPGD (0.38) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL26105695 0.79 HPGD (0.38) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL26106259 0.79 HPGD (0.38) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL17785641 0.77 HRH3 (0.33) HRH3
SCHEMBL224278 0.77 CA1 (0.33) SMN1; SMN2TSHR
SCHEMBL986268 0.77 HRH3 (0.43) KDM4EALDH1A1HRH3
SCHEMBL3272691 0.77 HRH3 (0.40) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL12022473 0.76 IRAK4 (0.41) SMN1; SMN2IRAK4KDM4EL3MBTL3L3MBTL1

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
EP-3134091-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-03-01 EP disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 3442/4885IRAK4 4/4885RORC 575/4885

“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.