SCHEMBL3466764

SCHEMBL3466764

CC[C@H](N)c1cccc(S(N)(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
CHRNA7 P36544 1/20 0.33
CA2 P00918 9/20 0.31
CA1 P00915 8/20 0.31
GLO1 Q04760 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
HSD11B1 P28845 2/20 0.31
CA9 Q16790 4/20 0.31
CA12 O43570 2/20 0.31
MAPK1 P28482 1/20 0.30
CA7 P43166 2/20 0.30
CA14 Q9ULX7 2/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
LOX P28300 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL3465578 0.87 LOX (0.41) IRAK4HSD11B1LOX
SCHEMBL3466474 0.87 IRAK4 (0.34) IRAK4HSD11B1LOX
SCHEMBL3465534 0.81 CHRNA7 (0.38) IRAK4CHRNA7CA2CA1GLO1
SCHEMBL522830 0.80 IRAK4 (0.40) IRAK4
SCHEMBL29073433 0.79 CHRNA7 (0.48) CHRNA7CA2CA1HSD11B1CA9
SCHEMBL30403787 0.76 HSD11B1 (0.39) IRAK4CHRNA7CA2CA1HSD11B1
SCHEMBL1579654 0.73 NOS3 (0.43) IRAK4
SCHEMBL13376683 0.72 IRAK4 (0.36) IRAK4
SCHEMBL2767354 0.72 IRAK4 (0.42) IRAK4
SCHEMBL3465375 0.72 IRAK4 (0.42) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 IRAK4 548/4885CHRNA7 230/4885CA2 2686/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 IRAK4 134/4885CHRNA7 1469/4885CA2 3968/4885

“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.