SCHEMBL4257552

SCHEMBL4257552

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
EGFR P00533 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4257472 1.00 TAS1R3 (0.46) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL442959 0.89 TAS1R3 (0.47) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL442958 0.89 TAS1R3 (0.47) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL448271 0.89 TAS1R3 (0.47) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4255209 0.85 TAS1R3 (0.59) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4251108 0.85 TAS1R3 (0.59) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4250725 0.85 TAS1R3 (0.55) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4251095 0.85 TAS1R3 (0.55) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4251048 0.84 HTT (0.47) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL4247818 0.84 HTT (0.47) TAS1R3TAS1R1EGFRMAOAMAOB

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 3753/4885EGFR 4858/4885

“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.