SCHEMBL424094

SCHEMBL424094

COc1ccc(C(=O)c2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ACLY P53396 6/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 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
SCHEMBL429228 0.91 TUBB4A (0.56) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10176539 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL423211 0.89 CA12 (0.49) CA12CA2CA9ACLYHDAC3
SCHEMBL425798 0.87 CA12 (0.58) CA12CA2CA9ACLYHDAC3
SCHEMBL426732 0.87 CA12 (0.49) CA12CA2CA9ACLYTUBB4A
SCHEMBL428130 0.83 ACLY (0.54) CA12CA2CA9ACLYHDAC3
SCHEMBL7067783 0.83 HDAC3 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10176354 0.82 CA12 (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL424372 0.82 HDAC3 (0.60) CA12CA2CA9ACLYHDAC3
SCHEMBL428425 0.81 TUBB4A (0.52) CA12CA2CA9ACLYTUBB4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 PDE4A 2473/4885PDE4B 2107/4885PDE4C 2443/4885

“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.