SCHEMBL3465534

SCHEMBL3465534

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
IRAK4 Q9NWZ3 5/20 0.33
CA9 Q16790 7/20 0.33
MAPK1 P28482 1/20 0.33
CA5A P35218 3/20 0.32
CA7 P43166 3/20 0.32
CA12 O43570 3/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.31
GLO1 Q04760 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
CA3 P07451 1/20 0.30
PLA2G7 Q13093 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
SCHEMBL29073433 0.87 CHRNA7 (0.48) CHRNA7CA1CA2CA9MAPK1
SCHEMBL3465644 0.85 LOX (0.41) CHRNA7IRAK4
SCHEMBL30403787 0.84 HSD11B1 (0.39) CHRNA7CA1CA2IRAK4CA9
SCHEMBL3466819 0.82 CNR2 (0.36) CHRNA7IRAK4
SCHEMBL3466764 0.81 IRAK4 (0.34) CHRNA7CA1CA2IRAK4CA9
SCHEMBL522063 0.77 CYP1A2 (0.38) IRAK4
SCHEMBL6449500 0.72 SLC40A1 (0.47) CA1CA2CA9MAPK1CA5A
SCHEMBL25170530 0.70 NOS3 (0.48) IRAK4
SCHEMBL4326351 0.70 NOS3 (0.48) IRAK4
SCHEMBL18793683 0.70 NOS3 (0.48) 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 CHRNA7 230/4885CA1 1081/4885CA2 2686/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CHRNA7 1469/4885CA1 2206/4885CA2 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.