SCHEMBL3465415

SCHEMBL3465415

C[CH]c1cccc(S(N)(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.34
CA1 P00915 9/20 0.34
CA9 Q16790 6/20 0.33
CA12 O43570 6/20 0.33
CA4 P22748 5/20 0.33
CA14 Q9ULX7 5/20 0.33
CA7 P43166 4/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA13 Q8N1Q1 3/20 0.33
MAPK1 P28482 1/20 0.33
CA3 P07451 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL3465074 0.81 CA2 (0.32) CA2CA1CA9CA12CA4
SCHEMBL3465533 0.78 CA2 (0.32) CA2CA1CA9CA12CA4
SCHEMBL28771443 0.77 CA1 (0.31) CA2CA1CA9CA12CA4
SCHEMBL29037007 0.76 CA1 (0.32) CA2CA1CA9MAPK1
SCHEMBL6449500 0.74 SLC40A1 (0.47) CA2CA1CA9CA12CA4
SCHEMBL9376282 0.73 KCNH2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL3466761 0.73 PIM1 (0.34) CA2CA1CA9CA12CA4
SCHEMBL17647899 0.71 NOS3 (0.43) CA2CA1CA9CA12CA4
SCHEMBL6501463 0.69 CYP3A4 (0.43) CA2CA1CA9CA12CA4
SCHEMBL9376409 0.69 CA2 (0.38) CA2CA1CA9CA12CA4

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-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 CA2 2686/4885CA1 1081/4885CA9 1728/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CA2 3968/4885CA1 2206/4885CA9 3842/4885

“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.