SCHEMBL12680321

SCHEMBL12680321

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(=O)CCCNC(=O)CCCC(=O)ON3C(=O)CCC3=O)c2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 2/20 0.44
PLK1 P53350 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL12680333 0.92 HDAC4 (0.39) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL12680352 0.87 PLK1 (0.62) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL12680367 0.87 HDAC1 (0.45) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL12681479 0.79 PLK1 (0.54) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL2211511 0.77 PLK1 (0.53) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL2211520 0.77 PLK1 (0.53) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL12680328 0.77 HDAC1 (0.58) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL12680355 0.76 PLK1 (0.35) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL2211481 0.75 PLK1 (0.53) HDAC4HDAC1HDAC6HDAC3PLK1
SCHEMBL2211496 0.75 PLK1 (0.53) HDAC4HDAC1HDAC6HDAC3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
WO-2008033475-A2 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC. (US) 2008-03-20 WO 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-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR HDAC4 3320/4885HDAC1 3438/4885HDAC6 2557/4885

“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.