SCHEMBL1655113

SCHEMBL1655113

Cc1cnc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL12730602 0.94 HCAR2 (0.44) HCAR2CA12CA1CA2CA9
SCHEMBL1656465 0.92 HCAR2 (0.49) HCAR2CA12CA1CA2CA9
SCHEMBL1655152 0.88 HCAR2 (0.45) HCAR2CA12CA1CA2CA9
SCHEMBL1655780 0.86 HCAR2 (0.43) HCAR2CA12CA1CA2CA9
SCHEMBL12730606 0.86 HCAR2 (0.43) HCAR2CA12CA1CA2CA9
SCHEMBL1655775 0.83 HCAR2 (0.49) HCAR2CA12CA1CA2MAPT
SCHEMBL12730593 0.79 TDP1 (0.43) HCAR2TDP1NPSR1ALDH1A1MAPT
SCHEMBL1657757 0.74 CNR1 (0.47) HCAR2ALDH1A1MAPT
SCHEMBL1082707 0.72 TDP1 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL1655821 0.71 HCAR2 (0.49) HCAR2CA2ALDH1A1MAPTHDAC3

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
WO-2011044136-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
US-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 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-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES ACOX3, ACOX1, PAOX HCAR2 122/4885CA12 2766/4885CA1 4063/4885

“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.