SCHEMBL4248039

SCHEMBL4248039

C[C@H](CNC(=O)c1cc2cc(OC3CCOCC3)ccc2o1)Oc1ccc(C(=S)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TAS1R3 Q7RTX0 10/20 0.38
TAS1R1 Q7RTX1 10/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ACACB O00763 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL443139 0.93 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4254728 0.89 HRH3 (0.38) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4253149 0.84 HPGD (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4256664 0.84 ACACB (0.41) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255394 0.82 TAS1R3 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255202 0.81 SMN1; SMN2 (0.53) HDAC1HDAC2TAS1R3TAS1R1TP53
SCHEMBL444531 0.81 HRH3 (0.42) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL444532 0.81 HRH3 (0.42) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4252461 0.81 TAS1R3 (0.50) TAS1R3TAS1R1ACACB
SCHEMBL4249839 0.79 ADAM17 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 4/4885

“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.