SCHEMBL464353

SCHEMBL464353

COC(=O)c1cc2c(cc1F)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.76
TBXA2R P21731 5/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
HDAC6 Q9UBN7 2/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL469867 0.91 HDAC8 (0.63) HDAC8MAPTHDAC6ALDH1A1HPGD
SCHEMBL446824 0.87 HDAC8 (1.00) HDAC8TBXA2RMAPTLMNATP53
SCHEMBL415810 0.81 HDAC8 (0.48) HDAC8HDAC6ALDH1A1HPGDTSHR
SCHEMBL469843 0.80 HDAC8 (0.47) HDAC8HDAC6ALDH1A1HPGDTSHR
SCHEMBL9250159 0.79 HDAC8 (0.53) HDAC8TBXA2RHDAC6
SCHEMBL444785 0.76 HDAC8 (1.00) HDAC8MAPTLMNATP53HDAC6
SCHEMBL21292761 0.75 KMT2A (0.62) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL9248492 0.75 TBXA2R (0.55) HDAC8TBXA2R
SCHEMBL10357238 0.74 HDAC8 (0.58) HDAC8TBXA2RHDAC6HTTPOLB
SCHEMBL10357585 0.74 HDAC8 (0.63) HDAC8TBXA2RHDAC6HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS HDAC8 304/4885TBXA2R 621/4885MAPT 4852/4885

“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.