SCHEMBL4256642

SCHEMBL4256642

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1ccc2oc(CN(C)C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.46
TAS1R3 Q7RTX0 13/20 0.43
TAS1R1 Q7RTX1 13/20 0.43
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
PIN1 Q13526 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL444512 0.92 HDAC6 (0.55) HDAC6TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4256678 0.82 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4250954 0.80 TAS1R3 (0.66) HDAC6TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4257464 0.80 PIN1 (0.47) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4251053 0.79 TAS1R3 (0.62) TAS1R3TAS1R1SMN1; SMN2
SCHEMBL4247496 0.79 TAS1R3 (0.57) HDAC6TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4252933 0.76 TAS1R3 (0.48) HDAC6TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4252461 0.75 TAS1R3 (0.50) TAS1R3TAS1R1
SCHEMBL4255578 0.74 TAS1R3 (0.49) TAS1R3TAS1R1
SCHEMBL4250157 0.73 TAS1R3 (0.41) HDAC6TAS1R3TAS1R1HDAC3HDAC1

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 HDAC6 11/4885TAS1R3 3722/4885TAS1R1 3753/4885

“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.