SCHEMBL4252933

SCHEMBL4252933

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP12 P39900 4/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
RAB9A P51151 2/20 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
SCHEMBL443731 0.90 TAS1R3 (0.52) TAS1R3TAS1R1MMP2MMP9MMP12
SCHEMBL4257464 0.89 PIN1 (0.47) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4253214 0.86 CNR2 (0.49) MEN1POLBKMT2AHDAC3HDAC4
SCHEMBL4253907 0.84 HDAC8 (0.47) MEN1POLBKMT2AHDAC3HDAC4
SCHEMBL4250725 0.83 TAS1R3 (0.55) TAS1R3TAS1R1KMT2AHDAC3HDAC4
SCHEMBL4251095 0.83 TAS1R3 (0.55) TAS1R3TAS1R1KMT2AHDAC3HDAC4
SCHEMBL4248075 0.83 MEN1 (0.48) MEN1POLBKMT2AHDAC1RAB9A
SCHEMBL4251053 0.81 TAS1R3 (0.62) TAS1R3TAS1R1MEN1POLBKMT2A
SCHEMBL4255500 0.81 HDAC1 (0.47) TAS1R3TAS1R1HDAC3HDAC4HDAC1
SCHEMBL4248660 0.81 MASP2 (0.46) MEN1POLBKMT2ARAB9AHTT

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 3753/4885MMP2 872/4885

“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.