SCHEMBL10176559

SCHEMBL10176559

COc1cc(OC)cc(C(C)c2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 1/20 0.49
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ACLY P53396 4/20 0.41
HTR6 P50406 5/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PFKFB3 Q16875 1/20 0.36

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
SCHEMBL10176557 0.95 CA12 (0.50) CA12CA9CA2PDE4APDE4B
SCHEMBL424367 0.89 CA12 (0.48) CA12CA9CA2PDE4APDE4B
SCHEMBL10176349 0.88 CA12 (0.47) CA12CA9CA2PDE4APDE4B
SCHEMBL10176556 0.87 PDE4A (0.53) CA12CA9CA2PDE4APDE4B
SCHEMBL422049 0.86 CA12 (0.49) CA12CA9CA2PDE4APDE4B
SCHEMBL423304 0.83 CA12 (0.48) CA12CA9CA2PDE4APDE4B
SCHEMBL426732 0.80 CA12 (0.49) CA12CA9CA2ACLYHTR6
SCHEMBL10176538 0.79 CA12 (0.48) CA12CA9CA2PDE4APDE4B
SCHEMBL428054 0.78 CA12 (0.57) CA12CA9CA2ACLYL3MBTL1
SCHEMBL428256 0.78 PDE4A (0.52) CA12CA9CA2PDE4APDE4B

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 1 patent. 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

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 CA12 4374/4885CA9 4149/4885CA2 4012/4885

“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.