SCHEMBL4025828

SCHEMBL4025828

CCOC(=O)CCCCCCN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.70
CA12 O43570 6/20 0.70
CA2 P00918 3/20 0.70
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
TPSAB1 Q15661 3/20 0.57
TPSD1 Q9BZJ3 3/20 0.57
TPSG1 Q9NRR2 3/20 0.57
ELANE P08246 2/20 0.55
ACHE P22303 2/20 0.53
PLG P00747 1/20 0.53

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
SCHEMBL4027171 1.00 CA9 (0.70) CA9CA12CA2HDAC1HDAC2
SCHEMBL4025830 0.89 CA12 (0.57) CA9CA12CA2HDAC1HDAC2
SCHEMBL4027170 0.89 CA12 (0.57) CA9CA12CA2HDAC1HDAC2
SCHEMBL9697407 0.88 HDAC1 (0.72) CA9CA12CA2HDAC1HDAC2
SCHEMBL9697341 0.88 HDAC1 (0.72) CA9CA12CA2HDAC1HDAC2
SCHEMBL9697335 0.86 HDAC1 (0.70) CA9CA12CA2HDAC1HDAC2
SCHEMBL9696765 0.86 HDAC1 (0.70) CA9CA12CA2HDAC1HDAC2
SCHEMBL9695737 0.83 CA9 (0.64) CA9CA12CA2HDAC1HDAC2
SCHEMBL13566544 0.82 HDAC1 (0.55) CA9CA12CA2HDAC1HDAC2
SCHEMBL3941396 0.82 HDAC1 (0.74) CA9CA12CA2HDAC1HDAC2

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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 US disclosed
EP-2045246-A1 DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP 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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CA9 1485/4885CA12 3053/4885CA2 1512/4885

“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.