SCHEMBL4513281

SCHEMBL4513281

Cc1ccc(S(=O)(=O)n2ccc(C=CCO)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP2 P08253 1/20 0.36
G6PD P11413 1/20 0.36
POLB P06746 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
SCHEMBL13757299 1.00 HDAC1 (0.48) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL296513 0.81 HDAC1 (0.54) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL296512 0.81 HDAC1 (0.54) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL4511468 0.80 CA1 (0.50) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL4511465 0.80 CA1 (0.50) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL1504599 0.79 CA1 (0.56) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL28632867 0.78 HDAC1 (0.71) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL4507829 0.77 HDAC1 (0.54) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL4507827 0.77 HDAC1 (0.54) HDAC1HDAC6CA1CA2HDAC3
SCHEMBL568306 0.76 CA1 (0.45) HDAC1HDAC6CA1CA2HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378058-B2 Conducting polymers and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2013-02-19 US disclosed
US-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2009-08-27 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-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF PIN1, PPIA, PARG HDAC1 4430/4885HDAC6 2950/4885CA1 2645/4885

“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.