SCHEMBL3940608

SCHEMBL3940608

O=C(O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.76
CA9 Q16790 12/20 0.76
HDAC1 Q13547 3/20 0.74
HDAC2 Q92769 2/20 0.74
CA1 P00915 5/20 0.70
CA2 P00918 3/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
ELANE P08246 2/20 0.57

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
SCHEMBL13606246 0.88 HDAC1 (0.73) CA12CA9HDAC1HDAC2CA1
SCHEMBL30527996 0.87 CA12 (1.00) CA12CA9HDAC1HDAC2CA1
SCHEMBL1172438 0.87 CA12 (1.00) CA12CA9HDAC1HDAC2CA1
SCHEMBL3940606 0.86 HDAC1 (0.56) CA12CA9HDAC1HDAC2CA1
SCHEMBL3937523 0.85 HDAC1 (1.00) CA12CA9HDAC1HDAC2CA1
SCHEMBL31752672 0.85 CA12 (0.70) CA12CA9HDAC1HDAC2CA1
SCHEMBL7280334 0.85 CA12 (0.65) CA12CA9HDAC1HDAC2CA1
SCHEMBL9168762 0.83 RAB9A (0.86) CA12CA9CA1CA2KMT2A
SCHEMBL31455791 0.82 CA12 (1.00) CA12CA9HDAC1HDAC2CA1
SCHEMBL4029127 0.82 CA12 (0.67) CA12CA9HDAC1HDAC2CA1

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 6 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
US-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 US disclosed
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
EP-2045246-A1 DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP disclosed
WO-2008003800-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2008-01-10 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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CA12 3053/4885CA9 1485/4885HDAC1 1/4885

“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.