SCHEMBL10176539

SCHEMBL10176539

C=C(c1cccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA2 P00918 1/20 0.47
ACLY P53396 6/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL10176354 0.91 CA12 (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL424094 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10176543 0.89 CA12 (0.48) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10176538 0.87 CA12 (0.48) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10176545 0.84 CA12 (0.51) CA12CA9CA2ACLYALDH1A1
SCHEMBL429228 0.82 TUBB4A (0.56) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10176544 0.82 ACLY (0.48) ACLYPKM
SCHEMBL428256 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL423211 0.80 CA12 (0.49) CA12CA9CA2ACLYALDH1A1
SCHEMBL10176556 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCA12

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 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.