SCHEMBL10176544

SCHEMBL10176544

C=C(c1cccc(-c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 0.48
TUBB4A P04350 6/20 0.43
TUBB P07437 6/20 0.43
TUBA3C P0DPH7 6/20 0.43
TUBA1B P68363 6/20 0.43
TUBA4A P68366 6/20 0.43
TUBB4B P68371 6/20 0.43
TUBB3 Q13509 6/20 0.43
TUBB2A Q13885 6/20 0.43
TUBB8 Q3ZCM7 6/20 0.43
TUBA3E Q6PEY2 6/20 0.43
TUBA1A Q71U36 6/20 0.43
TUBA1C Q9BQE3 6/20 0.43
TUBB6 Q9BUF5 6/20 0.43
TUBB2B Q9BVA1 6/20 0.43
TUBB1 Q9H4B7 6/20 0.43
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL428425 0.91 TUBB4A (0.52) ACLYTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176354 0.91 CA12 (0.47) ACLYTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL429321 0.83 ACLY (0.46) ACLYTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176539 0.82 PDE4A (0.49) ACLYPKM
SCHEMBL429228 0.81 TUBB4A (0.56) ACLYTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176545 0.80 CA12 (0.51) ACLYHDAC8HDAC6
SCHEMBL10176538 0.79 CA12 (0.48) ACLYHDAC8HDAC6
SCHEMBL424297 0.78 TUBB4A (0.53) ACLYTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176543 0.78 CA12 (0.48) ACLYHDAC8HDAC6
SCHEMBL3558271 0.77 ACLY (0.67) ACLY

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 ACLY 3445/4885TUBB4A 6/4885TUBB 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.