SCHEMBL7522692

SCHEMBL7522692

CCCN(CCCBr)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
CA2 P00918 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
CA1 P00915 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL7518369 0.95 CA9 (0.40) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL4743629 0.90 SMN1; SMN2 (0.39) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL7560559 0.89 TSHR (0.41) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL7513482 0.89 CA12 (0.41) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL4743575 0.88 MCHR1 (0.40) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL5963054 0.85 TSHR (0.40) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL7516875 0.85 CA2 (0.38) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL7518492 0.84 TSHR (0.39) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL14080566 0.80 KMT2A (0.41) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL14080627 0.80 KMT2A (0.41) CA2SMN1; SMN2CA1MMP1MMP2

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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 CA12 3973/4885CA9 3268/4885CA2 984/4885

“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.