SCHEMBL1488976

SCHEMBL1488976

CC(=S)N(O)C(C)C#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPIA P62937 2/20 0.46
HDAC1 Q13547 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
LMNA P02545 1/20 0.42
PRMT1 Q99873 1/20 0.41
KDM1A O60341 1/20 0.41
PGR P06401 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL1489019 1.00 CES1 (0.49) CES1ALDH1A1TDP1PPIAHDAC1
SCHEMBL1488869 0.91 CES1 (0.51) CES1ALDH1A1TDP1PPIAHDAC1
SCHEMBL1489203 0.91 CES1 (0.51) CES1ALDH1A1TDP1PPIAHDAC1
SCHEMBL1488967 0.89 POLB (0.49) ALDH1A1PPIAHDAC1HDAC8HDAC3
SCHEMBL1489371 0.89 POLB (0.49) ALDH1A1PPIAHDAC1HDAC8HDAC3
SCHEMBL1489233 0.87 PGR (0.46) CES1TDP1HDAC1HDAC8HDAC3
SCHEMBL12830684 0.80 CES1 (0.55) CES1ALDH1A1TDP1PPIAHDAC1
SCHEMBL12830983 0.80 CES1 (0.55) CES1ALDH1A1TDP1PPIAHDAC1
SCHEMBL1488938 0.80 POLB (0.54) ALDH1A1HDAC1HDAC8HDAC3HDAC4
SCHEMBL1488968 0.80 POLB (0.54) ALDH1A1HDAC1HDAC8HDAC3HDAC4

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-20110077305-A1 5-LIPOXYGENASE INHIBITORS FYLOCEL LTD. (GB) 2011-03-31 US disclosed
US-20110077305-A1 5-LIPOXYGENASE INHIBITORS FYLOCEL LTD. (GB) 2011-03-31 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-20110077305-A1 5-LIPOXYGENASE INHIBITORS ALOX12, ALOX15, ALOX5 CES1 54/4885ALDH1A1 170/4885TDP1 3328/4885

“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.