SCHEMBL1488967

SCHEMBL1488967

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL1489371 1.00 POLB (0.49) POLBALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL1488968 0.91 POLB (0.54) POLBALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL1488938 0.91 POLB (0.54) POLBALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL1489019 0.89 CES1 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1488976 0.89 CES1 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1489119 0.87 ALOX5 (0.45) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12830682 0.80 POLB (0.54) POLBALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL12830683 0.80 POLB (0.54) POLBALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL1488869 0.80 CES1 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1489203 0.80 CES1 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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 POLB 1340/4885ALDH1A1 170/4885MAPK1 1536/4885

“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.