SCHEMBL428425

SCHEMBL428425

COc1cc(C(=O)c2cccc(-c3cc4cc(F)ccc4n3S(=O)(=O)c3ccccc3)c2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 12/20 0.52
TUBB P07437 12/20 0.52
TUBA3C P0DPH7 12/20 0.52
TUBA1B P68363 12/20 0.52
TUBA4A P68366 12/20 0.52
TUBB4B P68371 12/20 0.52
TUBB3 Q13509 12/20 0.52
TUBB2A Q13885 12/20 0.52
TUBB8 Q3ZCM7 12/20 0.52
TUBA3E Q6PEY2 12/20 0.52
TUBA1A Q71U36 12/20 0.52
TUBA1C Q9BQE3 12/20 0.52
TUBB6 Q9BUF5 12/20 0.52
TUBB2B Q9BVA1 12/20 0.52
TUBB1 Q9H4B7 12/20 0.52
ACLY P53396 4/20 0.51
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL10176544 0.91 ACLY (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL429228 0.90 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL424297 0.84 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL429321 0.83 ACLY (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10176354 0.81 CA12 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL424094 0.81 PDE4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL428130 0.79 ACLY (0.54) ACLYCA12CA2CA9HDAC1
SCHEMBL426732 0.78 CA12 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3558271 0.77 ACLY (0.67) ACLYCA12CA2CA9
SCHEMBL10176560 0.77 ACLY (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 6/4885TUBB 1/4885TUBA3C 24/4885

“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.