SCHEMBL17688142

SCHEMBL17688142

COc1ncccc1-c1ccc(CP(=O)(O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.42
DHODH Q02127 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BTK Q06187 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ABL1 P00519 1/20 0.39
METAP2 P50579 1/20 0.39
NAAA Q02083 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL17696215 0.85 PCSK9 (0.39) PCSK9DHODHCA1CA2LOXL2
SCHEMBL9104617 0.81 EGLN1 (0.48) HDAC6
SCHEMBL22234254 0.78 PDE10A (0.51) PCSK9DHODHCA1CA2LOXL2
SCHEMBL17688170 0.78 HDAC1 (0.42) PCSK9DHODHCA1CA2LOXL2
SCHEMBL17688172 0.77 PCSK9 (0.43) PCSK9DHODHCA1CA2LOXL2
SCHEMBL17688178 0.76 PRMT5 (0.41) METAP2
SCHEMBL6262670 0.74 ALOX5AP (0.47) PCSK9DHODHCA1CA2LOXL2
SCHEMBL16499213 0.73 HIF1A (0.46) ALOX5APFEN1
SCHEMBL17688797 0.73 PCSK9 (0.42) PCSK9DHODHCA1CA2LOXL2
SCHEMBL22241827 0.73 ALOX5AP (0.52) PCSK9DHODHCA1CA2LOXL2

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
US-20170240539-A1 Preparation and Use of Cyclic Sulfonamide Derivatives as PAR-1 Receptor Antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
EP-3206687-A1 PREPARATION AND USE OF CYCLIC SULFONAMIDE DERIVATIVES AS PAR-1 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2017-08-23 EP disclosed
WO-2016060940-A1 PREPARATION AND USE OF CYCLIC SULFONAMIDE DERIVATIVES AS PAR-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO 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-20170240539-A1 Preparation and Use of Cyclic Sulfonamide Derivatives as PAR-1 Receptor Antagonists F2R, PRSS1, F2RL1 PCSK9 268/4885DHODH 3427/4885CA1 1574/4885

“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.