SCHEMBL5483551

SCHEMBL5483551

CCCCCN(CCCCC(NC(=O)O)c1nc2ccccc2[nH]1)S(=O)(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
EHMT2 Q96KQ7 2/20 0.50
FPR1 P21462 7/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALOX12 P18054 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 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
SCHEMBL5494956 0.89 ALDH1A1 (0.52) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5485839 0.84 ALDH1A1 (0.46) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4058179 0.79 ALDH1A1 (0.62) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3959226 0.76 ALDH1A1 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4055523 0.74 BCHE (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27504404 0.73 ALDH1A1 (0.70) ALDH1A1EHMT2FPR1CYP3A4CYP2C9
SCHEMBL9572296 0.73 ALDH1A1 (0.69) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28416316 0.72 ALDH1A1 (0.58) ALDH1A1FPR1ALOX12
SCHEMBL28415424 0.72 ALDH1A1 (0.58) ALDH1A1FPR1ALOX12
SCHEMBL28421573 0.72 ALDH1A1 (0.58) ALDH1A1FPR1ALOX12

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 ALDH1A1 854/4885HDAC3 4/4885HDAC4 12/4885

“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.