SCHEMBL10176545

SCHEMBL10176545

C=C(c1ccc(F)cc1)c1cccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA2 P00918 1/20 0.51
ACLY P53396 10/20 0.51
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CREBBP Q92793 1/20 0.41
RECQL P46063 1/20 0.40
KAT6A Q92794 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 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
SCHEMBL428130 0.88 ACLY (0.54) CA12CA9CA2ACLYNOD2
SCHEMBL10176543 0.87 CA12 (0.48) CA12CA9CA2ACLYNOD1
SCHEMBL10176539 0.84 PDE4A (0.49) CA12CA9CA2ACLYNOD2
SCHEMBL10176538 0.82 CA12 (0.48) CA12CA9CA2ACLYCREBBP
SCHEMBL10176177 0.81 CA12 (0.49) CA12CA9CA2ACLYNOD2
SCHEMBL10176354 0.81 CA12 (0.47) CA12CA9CA2ACLYRECQL
SCHEMBL425798 0.81 CA12 (0.58) CA12CA9CA2ACLYRECQL
SCHEMBL10176544 0.80 ACLY (0.48) ACLYHDAC8HDAC6
SCHEMBL424372 0.78 HDAC3 (0.60) CA12CA9CA2ACLYNOD2
SCHEMBL3558164 0.77 CA12 (0.78) CA12CA9CA2ACLYNOD1

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.