SCHEMBL4247069

SCHEMBL4247069

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1oc2ccccc2c1COCCOC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TP53 P04637 2/20 0.58
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
NPY1R P25929 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL445772 0.93 LMNA (0.60) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4255186 0.89 LMNA (0.56) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4251763 0.84 HDAC3 (0.62) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL444821 0.82 LMNA (0.59) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4250143 0.80 L3MBTL1 (0.50) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4253254 0.78 HDAC3 (0.44) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4254186 0.77 HDAC3 (0.65) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL445771 0.76 HDAC3 (0.47) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL445144 0.76 HDAC3 (0.73) LMNAL3MBTL1NPSR1TP53HDAC3
SCHEMBL4252933 0.75 TAS1R3 (0.48) NPSR1HDAC3HDAC1HDAC2HDAC10

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 LMNA 2081/4885L3MBTL1 1527/4885NPSR1 4415/4885

“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.