SCHEMBL4250157

SCHEMBL4250157

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.41
TAS1R1 Q7RTX1 12/20 0.41
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAPK1 P28482 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
SCHEMBL4255359 0.92 TAS1R3 (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL444189 0.92 TAS1R3 (0.45) TAS1R3TAS1R1LMNAGAAKDM4E
SCHEMBL4250122 0.83 TAS1R3 (0.37) TAS1R3TAS1R1
SCHEMBL444771 0.83 TAS1R3 (0.56) TAS1R3TAS1R1KDM4EHDAC3HDAC1
SCHEMBL14917962 0.80 HDAC4 (0.47) HDAC1HDAC6
SCHEMBL14917963 0.80 HDAC4 (0.47) HDAC1HDAC6
SCHEMBL14917965 0.80 HDAC4 (0.47) HDAC1HDAC6
SCHEMBL14917964 0.80 HDAC4 (0.47) HDAC1HDAC6
SCHEMBL4250954 0.78 TAS1R3 (0.66) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4251053 0.77 TAS1R3 (0.62) TAS1R3TAS1R1LMNAGAAALDH1A1

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 3753/4885LMNA 2081/4885

“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.