SCHEMBL5048585

SCHEMBL5048585

O=S(=O)(Nc1ccc(CO)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UQCRB P14927 2/20 0.69
UCHL1 P09936 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
HTR6 P50406 1/20 0.55
MAPT P10636 2/20 0.54
PSMD14 O00487 1/20 0.54

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
SCHEMBL2822371 0.90 MEN1 (0.67) MEN1KMT2AALDH1A1PKMHDAC1
SCHEMBL10453153 0.90 KMT2A (0.67) UQCRBMEN1KMT2AALDH1A1PKM
SCHEMBL13028489 0.86 UCHL1 (0.60) UQCRBUCHL1HDAC1HDAC8MAPT
SCHEMBL2889311 0.84 IKBKB (0.67) UQCRBALDH1A1HDAC1HDAC8HDAC4
SCHEMBL13480185 0.83 KMT2A (0.77) UQCRBMEN1KMT2AALDH1A1PKM
SCHEMBL812677 0.83 KMT2A (0.77) UQCRBMEN1KMT2AALDH1A1PKM
SCHEMBL6296969 0.82 UQCRB (1.00) UQCRBMEN1KMT2AALDH1A1PKM
SCHEMBL19392578 0.82 UQCRB (0.66) UQCRBUCHL1MEN1KMT2AALDH1A1
SCHEMBL13167612 0.81 KMT2A (0.80) UQCRBMEN1KMT2AALDH1A1PKM
SCHEMBL2888726 0.81 NPSR1 (0.64) UCHL1PKMHDAC1HDAC8MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 UQCRB 4744/4885UCHL1 2521/4885MEN1 1848/4885

“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.