SCHEMBL3466413

SCHEMBL3466413

CC[CH]c1ccnc(S(N)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.34
CA1 P00915 9/20 0.34
CA12 O43570 8/20 0.34
CA9 Q16790 8/20 0.34
CA7 P43166 5/20 0.34
CA14 Q9ULX7 3/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
NFE2L2 Q16236 3/20 0.33
CHRNA7 P36544 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SCN10A Q9Y5Y9 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CA3 P07451 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
SCHEMBL27827263 0.84 NFE2L2 (0.34) NFE2L2
SCHEMBL27845940 0.84 NFE2L2 (0.34) NFE2L2SCN10A
SCHEMBL3466127 0.82 CA12 (0.36) CA2CA1CA12CA9CA7
SCHEMBL3465652 0.81 CA12 (0.32) CA2CA1CA12CA9CA7
SCHEMBL13358874 0.80 CA12 (0.31) CA2CA1CA12CA9CA7
SCHEMBL3465580 0.76 CA2 (0.34) CA2CA1CA12CA9CA7
SCHEMBL21422570 0.75 NOS3 (0.53) CA2CA1CA12CA9CA7
SCHEMBL3466299 0.75 NFE2L2 (0.33) NFE2L2SCN10AKDM4E
SCHEMBL3465609 0.75 NFE2L2 (0.33) NFE2L2KDM4E
SCHEMBL31527882 0.74 NOS3 (0.52) CA2CA1CA12CA9CA7

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
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
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 CN 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 1081/4885CA12 3019/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CA2 3968/4885CA1 2206/4885CA12 4373/4885

“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.