SCHEMBL4253907

SCHEMBL4253907

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4253214 0.91 CNR2 (0.49) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL446568 0.90 HDAC1 (0.49) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL4252933 0.84 TAS1R3 (0.48) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL442423 0.80 HDAC1 (0.51) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL4250725 0.80 TAS1R3 (0.55) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL4251095 0.80 TAS1R3 (0.55) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL4257464 0.78 PIN1 (0.47) HDAC2HDAC1HDAC3NPC1RAB9A
SCHEMBL4252209 0.76 TAAR1 (0.57) HDAC8HDAC2HDAC6HDAC1HDAC3
SCHEMBL4251053 0.76 TAS1R3 (0.62) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL4248075 0.75 MEN1 (0.48) HDAC1MEN1KMT2APOLBGAA

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 HDAC8 2/4885HDAC2 4/4885HDAC6 11/4885

“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.