SCHEMBL3940606

SCHEMBL3940606

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
CA12 O43570 12/20 0.55
CA9 Q16790 11/20 0.55
CA1 P00915 5/20 0.51
PPARA Q07869 1/20 0.48
CA2 P00918 3/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL3940608 0.86 CA12 (0.76) HDAC1HDAC2CA12CA9CA1
SCHEMBL3937520 0.85 HDAC1 (0.77) HDAC1HDAC2CA12CA9CA1
SCHEMBL4029124 0.82 MEN1 (0.57) HDAC1HDAC2CA12CA9CA2
SCHEMBL31753078 0.74 KMT2A (0.74) HDAC1CA12CA9CA1PPARA
SCHEMBL916927 0.74 KMT2A (0.74) HDAC1CA12CA9CA1PPARA
SCHEMBL7280334 0.74 CA12 (0.65) HDAC1HDAC2CA12CA9CA1
SCHEMBL13606246 0.74 HDAC1 (0.73) HDAC1HDAC2CA12CA9CA1
SCHEMBL9168762 0.72 RAB9A (0.86) CA12CA9CA1CA2KMT2A
SCHEMBL3937523 0.72 HDAC1 (1.00) HDAC1HDAC2CA12CA9CA1
SCHEMBL31752672 0.72 CA12 (0.70) HDAC1HDAC2CA12CA9CA1

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 HDAC1 1/4885HDAC2 2/4885CA12 3053/4885

“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.