SCHEMBL4247496

SCHEMBL4247496

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1cc2cc(OCCOC)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.57
TAS1R1 Q7RTX1 16/20 0.57
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
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL447540 0.92 TAS1R3 (0.60) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4255578 0.88 TAS1R3 (0.49) TAS1R3TAS1R1
SCHEMBL4250954 0.88 TAS1R3 (0.66) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4251053 0.86 TAS1R3 (0.62) TAS1R3TAS1R1LMNAALDH1A1GAA
SCHEMBL4254278 0.83 HPGD (0.53) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4252461 0.83 TAS1R3 (0.50) TAS1R3TAS1R1LMNAGAA
SCHEMBL4429988 0.81 TAS1R3 (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4248654 0.81 TAS1R3 (0.47) TAS1R3TAS1R1
SCHEMBL4255359 0.80 TAS1R3 (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL447778 0.80 TAS1R3 (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2

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 TAS1R3 3722/4885TAS1R1 3753/4885HDAC3 3/4885

“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.