SCHEMBL4255209

SCHEMBL4255209

CC(C)C[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.59
TAS1R1 Q7RTX1 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL4251108 1.00 TAS1R3 (0.59) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL4250725 0.90 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL4251095 0.90 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL445758 0.90 TAS1R3 (0.61) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL444856 0.90 TAS1R3 (0.61) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL4251079 0.89 PPARG (0.46) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL4255571 0.87 PPARG (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4254174 0.87 PPARG (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4257552 0.85 TAS1R3 (0.46) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR
SCHEMBL4257472 0.85 TAS1R3 (0.46) TAS1R3TAS1R1SMN1; SMN2KMT2AEGFR

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 3753/4885SMN1; SMN2 3469/4885

“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.