SCHEMBL1489350

SCHEMBL1489350

CC(=O)N(O)C(C)C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
ALOX5 P09917 2/20 0.43
EPHX2 P34913 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42
GPR27 Q9NS67 1/20 0.42
HDAC1 Q13547 2/20 0.42
WDR5 P61964 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL1488946 0.89 ALOX5 (0.49) MEN1KMT2ATHRBHDAC8TDP1
SCHEMBL1488869 0.87 CES1 (0.51) MEN1KMT2ATHRBHDAC8TDP1
SCHEMBL1489203 0.87 CES1 (0.51) MEN1KMT2ATHRBHDAC8TDP1
SCHEMBL1489233 0.81 PGR (0.46) THRBHDAC8TDP1ALOX5EPHX2
SCHEMBL12831241 0.80 CYP19A1 (0.57) CYP19A1MEN1KMT2ATHRBHDAC8
SCHEMBL1489321 0.79 ALOX5 (0.49) HDAC8ALOX5EPHX2MAPTHDAC1
SCHEMBL1489019 0.78 CES1 (0.49) CYP19A1THRBHDAC8TDP1MAPT
SCHEMBL1488976 0.78 CES1 (0.49) CYP19A1THRBHDAC8TDP1MAPT
SCHEMBL1489015 0.76 CYP19A1 (0.51) CYP19A1MEN1KMT2ATHRBHDAC8
SCHEMBL1489017 0.76 CYP19A1 (0.51) CYP19A1MEN1KMT2ATHRBHDAC8

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 CYP19A1 314/4885MEN1 3066/4885KMT2A 2920/4885

“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.