SCHEMBL17833663

SCHEMBL17833663

C=C(C)C(=O)N(CCC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
UGT1A7 Q9HAW7 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 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
SCHEMBL28188181 0.92 PSEN1 (0.44) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL13038560 0.81 C5AR1 (0.52) SMN1; SMN2KEAP1NFE2L2PSEN1PSEN2
SCHEMBL28877340 0.76 ALDH1A1 (0.50) CA12CA9SMN1; SMN2KEAP1NFE2L2
SCHEMBL10950386 0.74 KDM4E (0.50) KEAP1NFE2L2CNR2KDM4ELMNA
SCHEMBL28877353 0.74 KMT2A (0.46) KMT2ACNR2LMNATAS2R14MAPT
SCHEMBL11779484 0.73 PSEN1 (0.48) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL8346204 0.72 CYP3A4 (0.42) CA2SMN1; SMN2KEAP1NFE2L2KMT2A
Ditolamide SCHEMBL2110790 0.72 CA9 (0.64) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL8061758 0.72 PSEN1 (0.46) KEAP1NFE2L2MEN1KMT2APSEN1
SCHEMBL8055654 0.71 POLB (0.43) CA12CA9CA2KEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 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-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 CA12 2542/4885CA9 3068/4885CA2 2984/4885

“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.